Geometry & MOs

Info

ID:

92042

PubChem CID:

49982108

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-216.91

Dipole, Da:

3.09

IP(EA), eV:

 -9.12(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations