Geometry & MOs

Info

ID:	206641
PubChem CID:	80277519
Reduced:	N5H7C11 (1)
Stoich.:	A5B7C11 (1)
Weight, g/mol:	274.023057
ΔH_f, kcal/mol:	137.31
Dipole, Da:	6.47
IP(EA), eV:	-10.05(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(3-chloro-4-fluorophenyl)sulfanylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C#N)N2C=CN=C2C#N

DOS

IR

Vibrations