Geometry & MOs

Info

ID:	48803
PubChem CID:	11528347
Reduced:	OC2H4 (3)
Stoich.:	AB2C4 (3)
Weight, g/mol:	133.001992
ΔH_f, kcal/mol:	-158.85
Dipole, Da:	2.42
IP(EA), eV:	-10.21(1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isothiocyanatomethylsulfanylethane

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CC(O1)O)O

DOS

IR

Vibrations