Geometry & MOs

Info

ID:	388292
PubChem CID:	134988703
Reduced:	SO3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	144.024501
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	2.61
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4,7-dihydro-1,3-oxathiocin-8-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(=S=O)C(=O)OC

DOS

IR

Vibrations