Geometry & MOs

Info

ID:	278181
PubChem CID:	103833904
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	303.088892
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	3.63
IP(EA), eV:	-9.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)S(=O)(=O)N2CCC[C@@H]2CO

DOS

IR

Vibrations