Geometry & MOs

Info

ID:

92240

PubChem CID:

49984653

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-173.95

Dipole, Da:

9.37

IP(EA), eV:

 -8.41(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations