Geometry & MOs

Info

ID:	403113
PubChem CID:	135058802
Reduced:	ClNSO3H14C20 (1)
Stoich.:	ABCD3E14F20 (1)
Weight, g/mol:	413.048857
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	6.41
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-9-methoxy-5-(4-methylphenyl)sulfonylphenanthridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=CC=CC=C4C2=O

DOS

IR

Vibrations