Geometry & MOs

Info

ID:	221063
PubChem CID:	85256706
Reduced:	O5C14H22 (1)
Stoich.:	A5B14C22 (1)
Weight, g/mol:	270.071451
ΔH_f, kcal/mol:	-232.35
Dipole, Da:	3.65
IP(EA), eV:	-10.15(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)sulfanyl-3-phenylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC12C(CC(CC1(O2)C)OC(=O)C)(C)C

DOS

IR

Vibrations