Geometry & MOs

Info

ID:	233842
PubChem CID:	92098531
Reduced:	SO2N8C15H18 (1)
Stoich.:	AB2C8D15E18 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	59.34
Dipole, Da:	9.27
IP(EA), eV:	-9.27(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations