Geometry & MOs

Info

ID:	423145
PubChem CID:	135119007
Reduced:	SN2O6C18H28 (1)
Stoich.:	AB2C6D18E28 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-227.09
Dipole, Da:	5.39
IP(EA), eV:	-8.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations