Geometry & MOs

Info

ID:	155995
PubChem CID:	56368646
Reduced:	FSN5O5H20C22 (1)
Stoich.:	ABC5D5E20F22 (1)
Weight, g/mol:	495.15764
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	2.16
IP(EA), eV:	-9.19(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-methylphenyl)-3-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations