Geometry & MOs

Info

ID:	121383
PubChem CID:	50765773
Reduced:	S2N3O4H15C16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	422.187339
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	4.1
IP(EA), eV:	-8.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)NC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations