Geometry & MOs

Info

ID:	403079
PubChem CID:	135058637
Reduced:	BrSN2O5H19C22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	363.092915
ΔH_f, kcal/mol:	-51.25
Dipole, Da:	8.74
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-2,8-dimethylphenanthridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC(=CC=C2)[N+](=O)[O-])[C@H](C(=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations