Geometry & MOs

Info

ID:	430510
PubChem CID:	135170576
Reduced:	ClNSC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	35.36
Dipole, Da:	1.16
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methyl-2,5-dihydropyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC1=NSC(=C1)C2(CC2)Cl

DOS

IR

Vibrations