Geometry & MOs

Info

ID:	111817
PubChem CID:	50382051
Reduced:	O4N5C32H43 (1)
Stoich.:	A4B5C32D43 (1)
Weight, g/mol:	631.256147
ΔH_f, kcal/mol:	-180.38
Dipole, Da:	4.48
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzamido-4-chlorophenyl)-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C

DOS

IR

Vibrations