Geometry & MOs

Info

ID:	80910
PubChem CID:	49853869
Reduced:	ClOSN3C20H28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	518.142405
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	9.5
IP(EA), eV:	-8.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)Cl)CC2CCC(C2(CN3C(=S)N=CN3)O)(C)C

DOS

IR

Vibrations