Geometry & MOs

Info

ID:	245254
PubChem CID:	99438062
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	454.200491
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	5.12
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3N(C)S(=O)(=O)C

DOS

IR

Vibrations