Geometry & MOs

Info

ID:

335008

PubChem CID:

127253814

Reduced:

ClN4O6H23C26 (1)

Stoich.:

AB4C6D23E26 (1)

Weight, g/mol:

450.155764

ΔHf, kcal/mol:

-138.22

Dipole, Da:

10.32

IP(EA), eV:

 -9.07(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC(=C(C=C4)N5C=CN=C5)C(=O)N

DOS

IR

Vibrations