Geometry & MOs

Info

ID:	340401
PubChem CID:	127262412
Reduced:	O2S2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	236.123486
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	5.48
IP(EA), eV:	-8.61(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-butan-2-yl 2,4,6-trimethylbenzenecarbothioate

Drug info:

PubChemData

Smile

COC1=CC(=O)/C(=C(/S)\SC)/C=C1

DOS

IR

Vibrations