Geometry & MOs

Info

ID:

214899

PubChem CID:

85083817

Reduced:

O6C17H18 (2)

Stoich.:

A6B17C18 (2)

Weight, g/mol:

636.236619

ΔHf, kcal/mol:

-446.62

Dipole, Da:

1.96

IP(EA), eV:

 -6.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[1-[2-acetamido-3-(1H-indol-3-yl)propanoyl]-3-sulfanylpyrrolidine-2-carbonyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(CC1=C2C3=C(C(=C(C4=C(C=C(C(=C43)C5=C2C(=C(C=C5OC)OC)C(=C1O)O)OC)OC)O)O)CC(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations