Geometry & MOs

Info

ID:	383009
PubChem CID:	134974495
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	283.982941
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	5.32
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl (2E)-2-chloro-2-(3-chloro-2-methylinden-1-ylidene)ethanethioate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCO

DOS

IR

Vibrations