Geometry & MOs

Info

ID:

92170

PubChem CID:

49983775

Reduced:

O5N6C40H48 (1)

Stoich.:

A5B6C40D48 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-172.14

Dipole, Da:

5.21

IP(EA), eV:

 -8.9(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations