Geometry & MOs

Info

ID:	430625
PubChem CID:	135170691
Reduced:	SO2N3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	6.38
IP(EA), eV:	-9.11(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1-methylpyrazol-3-yl)-3-methylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1O)C2=NC(=NS2)C

DOS

IR

Vibrations