Geometry & MOs

Info

ID:	46140
PubChem CID:	10522409
Reduced:	SO3C21H26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	358.250795
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	5.52
IP(EA), eV:	-8.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-dodecylphenyl)-2-methyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

C[C@H]1C=CC[C@@H]2[C@]1(C(=O)C(=C[C@]2(C[S@@](=O)C3=CC=C(C=C3)C)O)C)C

DOS

IR

Vibrations