Geometry & MOs

Info

ID:	93995
PubChem CID:	49997973
Reduced:	ClO4N5C33H38 (1)
Stoich.:	AB4C5D33E38 (1)
Weight, g/mol:	603.261232
ΔH_f, kcal/mol:	-143.68
Dipole, Da:	3.83
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-chlorophenyl)-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-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)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations