Geometry & MOs

Info

ID:	78310
PubChem CID:	49684397
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	376.120526
ΔH_f, kcal/mol:	-25.52
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

DOS

IR

Vibrations