Geometry & MOs

Info

ID:	25530
PubChem CID:	626255
Reduced:	SO3C20H20 (1)
Stoich.:	AB3C20D20 (1)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	7.42
IP(EA), eV:	-8.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)propanoic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4

DOS

IR

Vibrations