Geometry & MOs

Info

ID:

94152

PubChem CID:

49998771

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-238.05

Dipole, Da:

4.46

IP(EA), eV:

 -8.95(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)N5CCCCC5)C

DOS

IR

Vibrations