Geometry & MOs

Info

ID:	403302
PubChem CID:	135059617
Reduced:	ISC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	437.9899
ΔH_f, kcal/mol:	21.3
Dipole, Da:	2.12
IP(EA), eV:	-8.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(iodomethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CS2)CI

DOS

IR

Vibrations