Geometry & MOs

Info

ID:	161704
PubChem CID:	57392380
Reduced:	SN5O5C23H31 (1)
Stoich.:	AB5C5D23E31 (1)
Weight, g/mol:	460.144137
ΔH_f, kcal/mol:	-156.97
Dipole, Da:	8.3
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,4E)-1-(2-chlorophenyl)-5-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)C4CC4

DOS

IR

Vibrations