Geometry & MOs

Info

ID:	368183
PubChem CID:	127327734
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	310.089975
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	2.53
IP(EA), eV:	-9.31(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCC(C3)C4=CN(N=C4)C)C

DOS

IR

Vibrations