Geometry & MOs

Info

ID:	43614
PubChem CID:	10321547
Reduced:	N2C31H50 (1)
Stoich.:	A2B31C50 (1)
Weight, g/mol:	450.07176
ΔH_f, kcal/mol:	172.82
Dipole, Da:	2.13
IP(EA), eV:	-6.66(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Drug info:

PubChemData

Smile

C1CC/C=C/CCN2CCC=C(C2)CCC/C=C\CCC/C=C/CCN3CCC=C(C3)CC1

DOS

IR

Vibrations