Geometry & MOs

Info

ID:

432749

PubChem CID:

135172886

Reduced:

N2O6C35H38 (1)

Stoich.:

A2B6C35D38 (1)

Weight, g/mol:

1007.460448

ΔHf, kcal/mol:

-198.97

Dipole, Da:

6.21

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibenzyl (2R)-2-[3-[[(2S)-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanoyl]amino]propanoylamino]pentanedioate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)N(C(=O)C23CC(=C)C(=O)O3)CCCCCCCN4C5=C(C=CC(=C5C6(C4=O)CC(=C)C(=O)O6)C)C

DOS

IR

Vibrations