Geometry & MOs

Info

ID:	312370
PubChem CID:	126604470
Reduced:	NS2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	335.098
ΔH_f, kcal/mol:	-81.73
Dipole, Da:	4.56
IP(EA), eV:	-8.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-4aH-phenanthridin-6-yl)benzenesulfinic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=CC2=C(C=C1)C(=NC3=C2C=C(C=C3)CS(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations