Geometry & MOs

Info

ID:	438627
PubChem CID:	135228371
Reduced:	O4N5C19H33 (1)
Stoich.:	A4B5C19D33 (1)
Weight, g/mol:	747.478229
ΔH_f, kcal/mol:	-158.18
Dipole, Da:	5.25
IP(EA), eV:	-9.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-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]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic 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

C[C@@H](C(=O)C(C)C)NC(CCC1=CN(N=N1)C[C@H](C(=O)C(C)C)NC(=O)C)O

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

C[C@@H](C(=O)C(C)C)NC(CCC1=CN(N=N1)C[C@H](C(=O)C(C)C)NC(=O)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):