Geometry & MOs

Info

ID:

47382

PubChem CID:

10532102

Reduced:

N2O8H34C37 (1)

Stoich.:

A2B8C34D37 (1)

Weight, g/mol:

634.198502

ΔHf, kcal/mol:

-216.94

Dipole, Da:

4.12

IP(EA), eV:

 -8.86(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[2-[[(2S)-2-acetylsulfanyl-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]acetyl]-5-(4-hydroxyphenyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(C/C=C/C1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)CC(CC(=O)O)C(=O)O

DOS

IR

Vibrations