Geometry & MOs

Info

ID:	12156
PubChem CID:	131511
Reduced:	O9H26C27 (1)
Stoich.:	A9B26C27 (1)
Weight, g/mol:	494.157682
ΔH_f, kcal/mol:	-335.22
Dipole, Da:	9.01
IP(EA), eV:	-9.45(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-acetyloxy-12-hydroxy-2-(2-methyl-3-propyloxiran-2-yl)-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC1C(O1)(C)C2=CC(=O)C3=C(C=C4C=C5C(CCC(=O)C5=C(C4=C3O2)O)OC(=O)C)CC(=O)O

DOS

IR

Vibrations