Geometry & MOs

Info

ID:	432832
PubChem CID:	135172969
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	799.545914
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	0.71
IP(EA), eV:	-8.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]-4-methylidenepyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoate

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

CCOC(=O)CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3O2

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

CCOC(=O)CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3O2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):