Geometry & MOs

Info

ID:	47801
PubChem CID:	10535405
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	181.056135
ΔH_f, kcal/mol:	-6.69
Dipole, Da:	3.71
IP(EA), eV:	-9.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-benzylcarbamothioate

Drug info:

PubChemData

Smile

C1CC(=N[C@@H]1CO)C2=CC=CS2

DOS

IR

Vibrations