Geometry & MOs

Info

ID:	388323
PubChem CID:	134988791
Reduced:	NOSC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	199.996572
ΔH_f, kcal/mol:	-24.85
Dipole, Da:	6.31
IP(EA), eV:	-8.12(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methoxy-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(C(C)C)C(=S)C1=CC=C(C=C1)OC

DOS

IR

Vibrations