Geometry & MOs

Info

ID:	403188
PubChem CID:	135059085
Reduced:	BrNO2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	363.092915
ΔH_f, kcal/mol:	-42.22
Dipole, Da:	6.26
IP(EA), eV:	-8.65(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-2,9-dimethylphenanthridin-6-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3CCCCC3C4=C(C2=O)C=C(C=C4)Br

DOS

IR

Vibrations