Geometry & MOs

Info

ID:	145083
PubChem CID:	53458703
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	452.045638
ΔH_f, kcal/mol:	5.2
Dipole, Da:	4.1
IP(EA), eV:	-9.11(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[2-chloro-4-[2-(4-chlorophenyl)-2-cyanoethenyl]-6-methoxyphenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations