Geometry & MOs

Info

ID:	155994
PubChem CID:	56368645
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	485.116918
ΔH_f, kcal/mol:	-250.41
Dipole, Da:	3.99
IP(EA), eV:	-9.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-4-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCCN(CC1)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations