Geometry & MOs

Info

ID:	162372
PubChem CID:	57394471
Reduced:	SN3O3C26H37 (1)
Stoich.:	AB3C3D26E37 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	10.14
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1C2=C(CN(CC2)C3CCCC3)C4=C1C=CC(=C4)C(=O)N5CCC(CC5)C

DOS

IR

Vibrations