Geometry & MOs

Info

ID:	44206
PubChem CID:	10502019
Reduced:	O4C11H12 (2)
Stoich.:	A4B11C12 (2)
Weight, g/mol:	416.125988
ΔH_f, kcal/mol:	-303.66
Dipole, Da:	4.82
IP(EA), eV:	-9.1(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1,3-benzodioxol-5-yl)-3-benzyl-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCC1C2=C(C3=C(C=C2C=C(O1)C)C(=O)C=C(C3=O)[C@@H]4OC[C@H]([C@@H](O4)CO)O)O

DOS

IR

Vibrations