Geometry & MOs

Info

ID:	299106
PubChem CID:	117671400
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	6.6
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)SC2=C3C(=O)CCCN3C4=CC=CC=C42

DOS

IR

Vibrations