Geometry & MOs

Info

ID:

432715

PubChem CID:

135172852

Reduced:

O4C21H29 (2)

Stoich.:

A4B21C29 (2)

Weight, g/mol:

959.540178

ΔHf, kcal/mol:

-343.19

Dipole, Da:

2.36

IP(EA), eV:

 -8.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[2-[[(2S)-2-[6-[3-(aminomethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]acetyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(=CC2)C3=CC=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations