Geometry & MOs

Info

ID:

334790

PubChem CID:

127253465

Reduced:

N3O5C21H21 (1)

Stoich.:

A3B5C21D21 (1)

Weight, g/mol:

569.167726

ΔHf, kcal/mol:

-92.99

Dipole, Da:

11.05

IP(EA), eV:

 -8.81(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[[(3Z)-5-methoxy-6-oxo-3-(2-propan-2-yl-1H-tetrazol-5-ylidene)cyclohexa-1,4-dien-1-yl]amino]-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations