Geometry & MOs

Info

ID:	423176
PubChem CID:	135119052
Reduced:	NSO4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-185.49
Dipole, Da:	5.64
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations