Geometry & MOs

Info

ID:	205170
PubChem CID:	80063512
Reduced:	SN2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	268.047048
ΔH_f, kcal/mol:	11.62
Dipole, Da:	1.95
IP(EA), eV:	-8.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(1H-indol-2-ylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

CC1CC(C(C(C1)NC)SC2=CC3=CC=CC=C3N2)C

DOS

IR

Vibrations