Geometry & MOs

Info

ID:

219772

PubChem CID:

85164881

Reduced:

SN7O8C25H37 (1)

Stoich.:

AB7C8D25E37 (1)

Weight, g/mol:

595.325751

ΔHf, kcal/mol:

-310.51

Dipole, Da:

6.04

IP(EA), eV:

 -9.2(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-hydroxy-2-[1-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C(=O)C(CCCN=C(N)N)NC(=O)CN1CCCC(C1=O)NS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations