Geometry & MOs

Info

ID:	403112
PubChem CID:	135058801
Reduced:	NO2Cl3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	383.038292
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	3.13
IP(EA), eV:	-9.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)O[C@H](C2=CC=CC=C2)C(Cl)(Cl)Cl

DOS

IR

Vibrations