Geometry & MOs

Info

ID:	430679
PubChem CID:	135170745
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	4.11
IP(EA), eV:	-9.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,5-dihydropyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC(=O)OC1C(=CC(=O)N1C)C2=CC=CC=C2

DOS

IR

Vibrations