Geometry & MOs

Info

ID:	367611
PubChem CID:	127325101
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	357.147075
ΔH_f, kcal/mol:	-140.74
Dipole, Da:	1.21
IP(EA), eV:	-9.43(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5-dimethyl-1H-pyrazol-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2)C3=CN=CC=C3

DOS

IR

Vibrations