Geometry & MOs

Info

ID:	402890
PubChem CID:	135057720
Reduced:	SN2O6C12H22 (1)
Stoich.:	AB2C6D12E22 (1)
Weight, g/mol:	363.092915
ΔH_f, kcal/mol:	-289.44
Dipole, Da:	3.69
IP(EA), eV:	-10.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(4-methylphenyl)sulfonylphenanthridin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(S(=O)(=O)N1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations