Geometry & MOs

Info

ID:	233824
PubChem CID:	92098513
Reduced:	SO2N5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	44.79
Dipole, Da:	2.85
IP(EA), eV:	-9.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-cyclopentylsulfanylacetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CSC(=N2)C3=CC=CC=C3)OC4=NC=CN=C4C#N

DOS

IR

Vibrations