Geometry & MOs

Info

ID:	373104
PubChem CID:	131309985
Reduced:	SN2F3C5H5 (1)
Stoich.:	AB2C3D5E5 (1)
Weight, g/mol:	261.998592
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	2.57
IP(EA), eV:	-9.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[2-(chloromethyl)-5-methylsulfanylphenyl]propan-1-one

Drug info:

PubChemData

Smile

C1=C(N=CS1)[C@H](C(F)(F)F)N

DOS

IR

Vibrations