Geometry & MOs

Info

ID:	162175
PubChem CID:	57393844
Reduced:	N2S2O4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	308.987798
ΔH_f, kcal/mol:	0.87
Dipole, Da:	10.61
IP(EA), eV:	-9.66(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-9-pyridin-4-yl-7lambda6,9lambda4-dithia-8-azabicyclo[4.3.0]nona-1(6),2,4,8-tetraene 7,7-dioxide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S2=NS(=O)(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations