Geometry & MOs

Info

ID:	397435
PubChem CID:	135030215
Reduced:	INSO2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	9.6
Dipole, Da:	7.08
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-hydroxy-4,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4CC4)I

DOS

IR

Vibrations