Geometry & MOs

Info

ID:	330208
PubChem CID:	127247195
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	321.089561
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	6.61
IP(EA), eV:	-9.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations