Geometry & MOs

Info

ID:	217483
PubChem CID:	85087889
Reduced:	SN4O8C11H20 (1)
Stoich.:	AB4C8D11E20 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-312.05
Dipole, Da:	8.61
IP(EA), eV:	-9.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1,7-bis(2-hydroxy-4-methoxyphenyl)hepta-1,4,6-trien-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1C(C=C(OC1C(C(CO)O)O)C(=O)O)N=C(N)N

DOS

IR

Vibrations