Geometry & MOs

Info

ID:	77593
PubChem CID:	49658321
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	6.02
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-benzylpiperidin-1-yl)sulfonyl-5-ethyl-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NS(=O)(=O)C2=NNC(=C2C(=O)OCC)CC

DOS

IR

Vibrations