Geometry & MOs

Info

ID:

334648

PubChem CID:

127253323

Reduced:

ClN3O10H28C31 (1)

Stoich.:

AB3C10D28E31 (1)

Weight, g/mol:

336.133474

ΔHf, kcal/mol:

-309.58

Dipole, Da:

9.01

IP(EA), eV:

 -8.3(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9R)-11-(tetrazolo[1,5-a]pyridine-7-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC5=C(C(=C4)OC)OCO5)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations