Geometry & MOs

Info

ID:	370729
PubChem CID:	127340027
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	2.42
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NC2=CC=CC(=C2)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations