Geometry & MOs

Info

ID:	37658
PubChem CID:	8022879
Reduced:	PO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	320.104859
ΔH_f, kcal/mol:	-279.67
Dipole, Da:	2.87
IP(EA), eV:	-9.45(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-2-oxochromen-7-yl) (E)-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C(=O)O)P(=O)([C@@H](CC2=CC=CC=C2)C(=O)O)O

DOS

IR

Vibrations