Geometry & MOs

Info

ID:	368190
PubChem CID:	127327741
Reduced:	SO2N4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	370.00991
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	3.18
IP(EA), eV:	-9.32(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations