Geometry & MOs

Info

ID:	363658
PubChem CID:	127312364
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	283.084242
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	4.42
IP(EA), eV:	-8.39(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-difluoro-2,3-dihydroindol-1-yl)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=CC(=C2)CNC(=O)C3CCSCC3

DOS

IR

Vibrations