Geometry & MOs

Info

ID:

334523

PubChem CID:

127253198

Reduced:

ClSN5O7C36H36 (1)

Stoich.:

ABC5D7E36F36 (1)

Weight, g/mol:

480.120047

ΔHf, kcal/mol:

-134.56

Dipole, Da:

5.9

IP(EA), eV:

 -8.18(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NC4=NC(=CS4)C5=C(C=C6C(=C5)CC(=O)N6)Cl)OC)OC)OC

DOS

IR

Vibrations