Geometry & MOs

Info

ID:

133469

PubChem CID:

51531215

Reduced:

SO3N4C17H17 (1)

Stoich.:

AB3C4D17E17 (1)

Weight, g/mol:

335.109233

ΔHf, kcal/mol:

5.5

Dipole, Da:

4.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.875660

Charge, e:

 0

Chem-info

IUPAC name:

2-[[methyl(naphthalen-2-ylmethyl)azaniumyl]methyl]thieno[3,2-d]pyrimidin-4-olate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN=C(N2CC(=O)NCC3=CC=CO3)[S-]

DOS

IR

Vibrations