Geometry & MOs

Info

ID:

93974

PubChem CID:

49997836

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-203.71

Dipole, Da:

4.04

IP(EA), eV:

 -8.9(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(4-fluorophenyl)methylcarbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations