Geometry & MOs

Info

ID:	117149
PubChem CID:	50592946
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	595.17531
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	4.74
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-chloro-4-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations