Geometry & MOs

Info

ID:	283844
PubChem CID:	104012070
Reduced:	ClFSN2H8C13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	240.07212
ΔH_f, kcal/mol:	38.15
Dipole, Da:	6.1
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations