Geometry & MOs

Info

ID:	113194
PubChem CID:	50434511
Reduced:	ClO4N5C33H38 (1)
Stoich.:	AB4C5D33E38 (1)
Weight, g/mol:	603.261232
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	3.66
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations