Geometry & MOs

Info

ID:	272346
PubChem CID:	103740073
Reduced:	NOSC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	2.09
IP(EA), eV:	-8.59(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-cyanophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CCN(CC)CCSCCCCCCO

DOS

IR

Vibrations