Geometry & MOs

Info

ID:	226569
PubChem CID:	87544193
Reduced:	OSSiN2C11H21 (1)
Stoich.:	ABCD2E11F21 (1)
Weight, g/mol:	395.007576
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	2.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753432
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,5-dichloro-4,6-dimethylpyridin-3-yl)-1,3-oxazol-4-yl]-3-nitrobenzene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(C1=CSC(=N1)N)O[Si](C)C

DOS

IR

Vibrations