Geometry & MOs

Info

ID:	388124
PubChem CID:	134988252
Reduced:	NOSCl2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	148.942763
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	4.06
IP(EA), eV:	-9.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylsulfanylcarbothioyl thiocyanate

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)C(=O)C(S)(Cl)Cl

DOS

IR

Vibrations