Geometry & MOs

Info

ID:	121016
PubChem CID:	50753459
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	3.03
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=NN(C(=C1)C2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations