Geometry & MOs

Info

ID:	5179
PubChem CID:	12718
Reduced:	NSO2C4H5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	131.0041
ΔH_f, kcal/mol:	-49.1
Dipole, Da:	3.54
IP(EA), eV:	-9.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-thiocyanatoacetate

Drug info:

PubChemData

Smile

COC(=O)CSC#N

DOS

IR

Vibrations