Geometry & MOs

Info

ID:	296758
PubChem CID:	117591564
Reduced:	Cl2N4O9C46H62 (1)
Stoich.:	A2B4C9D46E62 (1)
Weight, g/mol:	571.184232
ΔH_f, kcal/mol:	-430.29
Dipole, Da:	7.0
IP(EA), eV:	-8.47(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-amino-2-hydroxybenzoate;2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-6a-ol

Drug info:

PubChemData

Smile

CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C.CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl

DOS

IR

Vibrations