Geometry & MOs

Info

ID:	302723
PubChem CID:	124393509
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	411.121906
ΔH_f, kcal/mol:	52.05
Dipole, Da:	3.25
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-2-cyano-2-(3-nitrophenyl)ethenyl]-2-methoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C(=CSC2=N1)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations