Geometry & MOs

Info

ID:	95288
PubChem CID:	50007829
Reduced:	O4N5C31H35 (1)
Stoich.:	A4B5C31D35 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	7.22
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(methylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations