Geometry & MOs

Info

ID:	224009
PubChem CID:	85336956
Reduced:	FSO2N7C21H30 (1)
Stoich.:	ABC2D7E21F30 (1)
Weight, g/mol:	455.130363
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	7.02
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-phenyl-2-sulfanylideneacetamide

Drug info:

PubChemData

Smile

CC1C2CCC(CC2NN1)N(C)C3=NC(=NC=C3F)NC4=CC(=C(C=C4)C)NS(=O)(=O)C

DOS

IR

Vibrations