Geometry & MOs

Info

ID:	417079
PubChem CID:	135091287
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-53.96
Dipole, Da:	5.44
IP(EA), eV:	-8.58(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations