Geometry & MOs

Info

ID:	37382
PubChem CID:	8020391
Reduced:	SN2O5C14H18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-180.37
Dipole, Da:	8.32
IP(EA), eV:	-9.57(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations