Geometry & MOs

Info

ID:	15945
PubChem CID:	455813
Reduced:	ClO7H25C26 (1)
Stoich.:	AB7C25D26 (1)
Weight, g/mol:	484.128881
ΔH_f, kcal/mol:	-268.56
Dipole, Da:	4.87
IP(EA), eV:	-9.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8,8-dimethyl-9-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations