Geometry & MOs

Info

ID:	334082
PubChem CID:	127252634
Reduced:	N2O2C11H14 (3)
Stoich.:	A2B2C11D14 (3)
Weight, g/mol:	468.084517
ΔH_f, kcal/mol:	-140.54
Dipole, Da:	7.6
IP(EA), eV:	-8.19(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)furo[3,2-c]chromen-4-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)C2CCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations