Geometry & MOs

Info

ID:	368106
PubChem CID:	127327483
Reduced:	ON7C15H19 (1)
Stoich.:	AB7C15D19 (1)
Weight, g/mol:	384.092597
ΔH_f, kcal/mol:	84.45
Dipole, Da:	8.79
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-methylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=CC(=NC4=NC=NN34)COC

DOS

IR

Vibrations