Geometry & MOs

Info

ID:	310030
PubChem CID:	126572958
Reduced:	S2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	68.77
Dipole, Da:	7.12
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)prop-2-eneperoxoic acid

Drug info:

PubChemData

Smile

CCC(C)(C#N)SC(=S)N(C)C1=CC=NC=C1

DOS

IR

Vibrations