Geometry & MOs

Info

ID:	116356
PubChem CID:	50557567
Reduced:	ClO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	601.22226
ΔH_f, kcal/mol:	-176.24
Dipole, Da:	6.43
IP(EA), eV:	-8.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C(C)C)C)Cl

DOS

IR

Vibrations