Geometry & MOs

Info

ID:

335007

PubChem CID:

127253813

Reduced:

ClNO7H20C24 (1)

Stoich.:

ABC7D20E24 (1)

Weight, g/mol:

522.130612

ΔHf, kcal/mol:

-239.01

Dipole, Da:

6.59

IP(EA), eV:

 -9.34(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-2-imidazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=C(C=CC(=C4)Cl)O)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations