Geometry & MOs

Info

ID:	416752
PubChem CID:	135090285
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	316.120526
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	5.14
IP(EA), eV:	-9.6(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CCS(=O)(=O)C

DOS

IR

Vibrations