Geometry & MOs

Info

ID:	284974
PubChem CID:	104086816
Reduced:	OS2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-30.17
Dipole, Da:	2.36
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypropan-2-ylsulfanyl)-1-(2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC(CO)SCC1=CSC=C1

DOS

IR

Vibrations