Geometry & MOs

Info

ID:	140296
PubChem CID:	52678772
Reduced:	S2N3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	431.12634
ΔH_f, kcal/mol:	-118.46
Dipole, Da:	6.1
IP(EA), eV:	-8.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)CC3=CSC(=N3)C(=O)OCC

DOS

IR

Vibrations