Geometry & MOs

Info

ID:	1921
PubChem CID:	5350
Reduced:	NOS2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	177.028206
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	4.88
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isothiocyanato-4-methylsulfinylbutane

Drug info:

PubChemData

Smile

CS(=O)CCCCN=C=S

DOS

IR

Vibrations