Geometry & MOs

Info

ID:	162174
PubChem CID:	57393836
Reduced:	N2S3O4H12C13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	350.039499
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	5.98
IP(EA), eV:	-9.45(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S2=NS(=O)(=O)C3=C2C=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations