Geometry & MOs

Info

ID:	125050
PubChem CID:	50908112
Reduced:	O5C19H20 (1)
Stoich.:	A5B19C20 (1)
Weight, g/mol:	314.115424
ΔH_f, kcal/mol:	-183.88
Dipole, Da:	9.95
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] but-3-enoate

Drug info:

PubChemData

Smile

CC/C=C/C(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C

DOS

IR

Vibrations