Geometry & MOs

Info

ID:	419080
PubChem CID:	135107442
Reduced:	SN3O6C15H23 (1)
Stoich.:	AB3C6D15E23 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-216.51
Dipole, Da:	7.07
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations