Geometry & MOs

Info

ID:	379297
PubChem CID:	134357427
Reduced:	OSF3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	410.09681
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	3.22
IP(EA), eV:	-8.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-chloro-4-methylphenyl)-3-N-methyl-1-pyridin-3-ylsulfinylindole-3,6-diamine

Drug info:

PubChemData

Smile

CNCC1=CN(C2=C1C=CC(=C2)NC3=C(C=C(C=C3)OC)C(F)(F)F)SC4=CN=CC=C4

DOS

IR

Vibrations