Geometry & MOs

Info

ID:	415460
PubChem CID:	135088455
Reduced:	SN3O5C15H23 (1)
Stoich.:	AB3C5D15E23 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-193.57
Dipole, Da:	6.8
IP(EA), eV:	-9.46(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCN1C=CC(=CC1=O)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations