Geometry & MOs

Info

ID:

176671

PubChem CID:

76080625

Reduced:

S2O5N7C21H22 (1)

Stoich.:

A2B5C7D21E22 (1)

Weight, g/mol:

606.004837

ΔHf, kcal/mol:

-22.39

Dipole, Da:

12.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756765

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CSCON=C(C1=NC=CC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations