Geometry & MOs

Info

ID:	343632
PubChem CID:	127266808
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	6.49
IP(EA), eV:	-9.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)N2CCC[C@H]2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations