Geometry & MOs

Info

ID:

432698

PubChem CID:

135172834

Reduced:

O9C43H50 (1)

Stoich.:

A9B43C50 (1)

Weight, g/mol:

950.572857

ΔHf, kcal/mol:

-323.9

Dipole, Da:

1.19

IP(EA), eV:

 -8.59(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(3S)-2-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC

DOS

IR

Vibrations