Geometry & MOs

Info

ID:	117934
PubChem CID:	50621103
Reduced:	ClO4N5C31H34 (1)
Stoich.:	AB4C5D31E34 (1)
Weight, g/mol:	546.239769
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	7.25
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations