Geometry & MOs

Info

ID:	379295
PubChem CID:	134357357
Reduced:	ClSN4F6H19C23 (1)
Stoich.:	ABC4D6E19F23 (1)
Weight, g/mol:	413.040104
ΔH_f, kcal/mol:	-229.63
Dipole, Da:	6.01
IP(EA), eV:	-8.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(6-chloropyridin-3-yl)sulfanyl-6-(6-fluoropyridin-3-yl)indole-3-carboxylate

Drug info:

PubChemData

Smile

CNCC1=CN(C2=C1C=CC(=C2)NC3=CC=C(NC3Cl)C(F)(F)F)SC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations