Geometry & MOs

Info

ID:	181859
PubChem CID:	76805553
Reduced:	FSN4O5C20H23 (1)
Stoich.:	ABC4D5E20F23 (1)
Weight, g/mol:	295.949927
ΔH_f, kcal/mol:	-152.27
Dipole, Da:	11.54
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dichloro-1-[(4-methoxyphenyl)disulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CCN1C(=NN=C1OC2=CC=C(C=C2)F)C(C)NS(=O)(=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations