Geometry & MOs

Info

ID:	345839
PubChem CID:	127270139
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	2.29
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]benzamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)NC3CCC(CC3)C(=O)N4CCSCC4

DOS

IR

Vibrations