Geometry & MOs

Info

ID:	330245
PubChem CID:	127247232
Reduced:	S2O4N5C12H17 (1)
Stoich.:	A2B4C5D12E17 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	10.96
IP(EA), eV:	-9.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C

DOS

IR

Vibrations