Geometry & MOs

Info

ID:	107526
PubChem CID:	50207217
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	499.198632
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	7.17
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-chlorophenyl)-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=C(C=C3)Cl

DOS

IR

Vibrations