Geometry & MOs

Info

ID:	368191
PubChem CID:	127327742
Reduced:	BrSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	375.100125
ΔH_f, kcal/mol:	-0.19
Dipole, Da:	5.94
IP(EA), eV:	-9.41(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)C3=CC(=CN=C3)Br

DOS

IR

Vibrations