Geometry & MOs

Info

ID:

333994

PubChem CID:

127252546

Reduced:

N4O7H24C25 (1)

Stoich.:

A4B7C24D25 (1)

Weight, g/mol:

561.152745

ΔHf, kcal/mol:

-220.14

Dipole, Da:

6.2

IP(EA), eV:

 -8.38(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[3-[5-(1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]anilino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=CC5=C(C=C4NC3=O)OCO5)O

DOS

IR

Vibrations