Geometry & MOs

Info

ID:	117526
PubChem CID:	50605997
Reduced:	ClSO4N6C28H31 (1)
Stoich.:	ABC4D6E28F31 (1)
Weight, g/mol:	572.114874
ΔH_f, kcal/mol:	-108.73
Dipole, Da:	8.45
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations