Geometry & MOs

Info

ID:

432611

PubChem CID:

135172747

Reduced:

O2N4C27H32 (1)

Stoich.:

A2B4C27D32 (1)

Weight, g/mol:

1012.591879

ΔHf, kcal/mol:

15.4

Dipole, Da:

5.67

IP(EA), eV:

 -8.38(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(6S)-5-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[2-[[(2S)-3-methyl-2-[methyl-[6-[3-(3-methylbutylsulfanyl)-2,5-dioxopyrrolidin-1-yl]hexanoyl]amino]butanoyl]amino]acetyl]amino]heptanoyl]-5-azaspiro[2.4]heptan-6-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C/C/1=C\NC=NC(C2=CC=CC=C12)CC(=O)C3CCN(CC3)C(=O)CN(C)C4=CC=CC=C4

DOS

IR

Vibrations