Geometry & MOs

Info

ID:	44693
PubChem CID:	10505425
Reduced:	SO5N6C23H24 (1)
Stoich.:	AB5C6D23E24 (1)
Weight, g/mol:	496.209718
ΔH_f, kcal/mol:	-21.85
Dipole, Da:	2.44
IP(EA), eV:	-8.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)S(=O)(=O)C4=NON=C4C5=CC=CC=C5)N)OC

DOS

IR

Vibrations