Geometry & MOs

Info

ID:	413532
PubChem CID:	135086481
Reduced:	FN2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785281
Charge, e:	0

Chem-info

IUPAC name:

9-(dimethylsulfamoyl)-1-methyl-N-phenylpyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)F)[NH+]=C1N

DOS

IR

Vibrations