Geometry & MOs

Info

ID:	26003
PubChem CID:	635543
Reduced:	NSO7C25H29 (1)
Stoich.:	ABC7D25E29 (1)
Weight, g/mol:	501.98135
ΔH_f, kcal/mol:	-219.97
Dipole, Da:	8.31
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,9-dibromo-5-methoxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC

DOS

IR

Vibrations