Geometry & MOs

Info

ID:	330243
PubChem CID:	127247230
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	359.105211
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	7.74
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CN3CCC(C3)C4=C(C=NN4)S(=O)(=O)C

DOS

IR

Vibrations