Geometry & MOs

Info

ID:

103851

PubChem CID:

50077789

Reduced:

N5O6C33H39 (1)

Stoich.:

A5B6C33D39 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-197.73

Dipole, Da:

8.91

IP(EA), eV:

 -8.45(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations