Geometry & MOs

Info

ID:	107525
PubChem CID:	50207160
Reduced:	O4N5C25H31 (1)
Stoich.:	A4B5C25D31 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	5.55
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations