Geometry & MOs

Info

ID:	414484
PubChem CID:	135087442
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	2.9
IP(EA), eV:	-10.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2(CCCCC2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations