Geometry & MOs

Info

ID:	165270
PubChem CID:	74524091
Reduced:	O3N5C15H16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	424.003508
ΔH_f, kcal/mol:	53.95
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.089353
Charge, e:	-2

Chem-info

IUPAC name:

5,6-bis(methoxycarbonyl)-7-(5-nitro-2-oxidophenyl)-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]thiazol-2-olate

Drug info:

PubChemData

Smile

CC1=C(N=C(N=N1)NN=CC2=CC(=C(C=C2)OCC=C)OC)[O-]

DOS

IR

Vibrations