Geometry & MOs

Info

ID:	361642
PubChem CID:	127303974
Reduced:	S2N3O3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	8.05
IP(EA), eV:	-9.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CCC(=O)NCCC2=CSC=N2

DOS

IR

Vibrations