Geometry & MOs

Info

ID:	334762
PubChem CID:	127253437
Reduced:	N2O3C15H21 (2)
Stoich.:	A2B3C15D21 (2)
Weight, g/mol:	520.100561
ΔH_f, kcal/mol:	-200.33
Dipole, Da:	11.78
IP(EA), eV:	-8.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-(4-hydroxy-3-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCCN(C)C)OC)OC)OC

DOS

IR

Vibrations