Geometry & MOs

Info

ID:	399163
PubChem CID:	135038386
Reduced:	OS2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	4.54
Dipole, Da:	2.57
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(2-methylphenyl)-2-(thiophene-3-carbonyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CSC(=C=C/C=C\O)SC1

DOS

IR

Vibrations