Geometry & MOs

Info

ID:	296796
PubChem CID:	117593483
Reduced:	O11H26C27 (1)
Stoich.:	A11B26C27 (1)
Weight, g/mol:	510.200216
ΔH_f, kcal/mol:	-417.29
Dipole, Da:	8.49
IP(EA), eV:	-8.69(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-2-one;hydroxyurea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)O)C(=O)O)C)O)C=O)OC.CC(=O)OC1=CC=C(C=C1)O

DOS

IR

Vibrations