Geometry & MOs

Info

ID:	309687
PubChem CID:	126554476
Reduced:	NO3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	316.008469
ΔH_f, kcal/mol:	-218.01
Dipole, Da:	3.73
IP(EA), eV:	-10.23(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-fluoro-5-hydroxyphenyl)-2-methyl-2,3,3a,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole-4,6-dione

Drug info:

PubChemData

Smile

CC(=O)OCCN1C(C2=C3C(=CC=C4C3=C(C=C2)C(=O)NC4=O)C1=O)O

DOS

IR

Vibrations