Geometry & MOs

Info

ID:	184013
PubChem CID:	77101687
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	4.77
IP(EA), eV:	-8.98(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(2-hydroxyphenyl)sulfanylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCOC1=CC=CC=C1CC=C)C(=O)O

DOS

IR

Vibrations