Geometry & MOs

Info

ID:

397919

PubChem CID:

135030982

Reduced:

O5N6C22H23 (1)

Stoich.:

A5B6C22D23 (1)

Weight, g/mol:

225.091555

ΔHf, kcal/mol:

-101.54

Dipole, Da:

9.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765900

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C](CC[C@@H]3C(C([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)C(=O)O

DOS

IR

Vibrations