Geometry & MOs

Info

ID:	8371
PubChem CID:	76922
Reduced:	NSC5H7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	113.02992
ΔH_f, kcal/mol:	44.37
Dipole, Da:	4.49
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isothiocyanatobut-1-ene

Drug info:

PubChemData

Smile

C=CCCN=C=S

DOS

IR

Vibrations