Geometry & MOs

Info

ID:

14699

PubChem CID:

418145

Reduced:

SO2N3H8C12 (1)

Stoich.:

AB2C3D8E12 (1)

Weight, g/mol:

258.033723

ΔHf, kcal/mol:

83.05

Dipole, Da:

1.76

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.103540

Charge, e:

 1

Chem-info

IUPAC name:

3-(4-nitrophenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

Drug info:

PubChemData

Smile

C1=CN=C2[N+](=C1)C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations