Geometry & MOs

Info

ID:	283841
PubChem CID:	104011966
Reduced:	SN2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	298.059841
ΔH_f, kcal/mol:	87.58
Dipole, Da:	5.91
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1/C(=C(/C#N)\C2=CC=CC=C2)/N

DOS

IR

Vibrations