Geometry & MOs

Info

ID:	283845
PubChem CID:	104012075
Reduced:	SN2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	289.032126
ΔH_f, kcal/mol:	83.25
Dipole, Da:	6.59
IP(EA), eV:	-8.91(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-3-(5-fluoro-2-nitrophenyl)-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=C(/C#N)\C2=CC=CS2)/N

DOS

IR

Vibrations