Geometry & MOs

Info

ID:	266471
PubChem CID:	103567231
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	5.37
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamothioyl-5-methoxyphenoxy)-N-ethyl-N-methylacetamide

Drug info:

PubChemData

Smile

COCCOC1=CC(=CC(=C1)OC)C(=S)N

DOS

IR

Vibrations