Geometry & MOs

Info

ID:	312369
PubChem CID:	126604466
Reduced:	NH15C19 (2)
Stoich.:	AB15C19 (2)
Weight, g/mol:	439.091201
ΔH_f, kcal/mol:	205.65
Dipole, Da:	2.81
IP(EA), eV:	-8.68(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(ethylsulfonylmethyl)-6-phenylphenanthridin-2-yl]methanesulfinic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)/C=C\C2=CN=C(C=C2)C3CC=C(C4=CC=CC=C34)C5=CC6=CC=CC=C6C7=C5C=CC=CC7

DOS

IR

Vibrations