Geometry & MOs

Info

ID:	21826
PubChem CID:	591731
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	181.056135
ΔH_f, kcal/mol:	-1.39
Dipole, Da:	4.17
IP(EA), eV:	-8.58(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)ethanimidothioic acid

Drug info:

PubChemData

Smile

CC(=NC1=CC=CC=C1OC)S

DOS

IR

Vibrations