Geometry & MOs

Info

ID:	398495
PubChem CID:	135033516
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	289.026492
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.95
IP(EA), eV:	-9.44(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-cyano-3-(2-oxothiolan-3-yl)propan-2-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CC(=O)CCC/C=C(\C)/COCC1=CC=CC=C1

DOS

IR

Vibrations