Geometry & MOs

Info

ID:	398676
PubChem CID:	135034757
Reduced:	INC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	250.057612
ΔH_f, kcal/mol:	40.27
Dipole, Da:	1.82
IP(EA), eV:	-8.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1,3-dimethyl-2-oxoindol-3-yl)methyl thiocyanate

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(C3=CC=CC=C3N2C1)C)(C)C)I

DOS

IR

Vibrations