Geometry & MOs

Info

ID:	430624
PubChem CID:	135170690
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	211.041548
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	2.54
IP(EA), eV:	-8.61(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC(N(C1=O)C2=NN(C(=C2)C(C)(C)C)C)O

DOS

IR

Vibrations