Geometry & MOs

Info

ID:	437818
PubChem CID:	135227104
Reduced:	OSN4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	290.97288
ΔH_f, kcal/mol:	40.83
Dipole, Da:	2.52
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(cyclopropylmethyl)-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)(C#N)SC1=CC(=C(C=C1)NCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations