Geometry & MOs

Info

ID:	432597
PubChem CID:	135172731
Reduced:	ON2C14H16 (2)
Stoich.:	AB2C14D16 (2)
Weight, g/mol:	789.505192
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	3.45
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R,4S)-5-(2,3-dimethylcycloprop-2-en-1-yl)-3-methoxy-4-[[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]-2-methylpentanoyl]amino]-3-(2-fluorophenyl)propanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=C(C=C1)N(C)CC(=O)N2CCC(CC2)C(=O)CC3C4=CC=CC=C4C5=CN=CN35)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=C(C=C1)N(C)CC(=O)N2CCC(CC2)C(=O)CC3C4=CC=CC=C4C5=CN=CN35)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):