Geometry & MOs

Info

ID:

334058

PubChem CID:

127252610

Reduced:

O2N5C24H27 (1)

Stoich.:

A2B5C24D27 (1)

Weight, g/mol:

471.119713

ΔHf, kcal/mol:

-15.25

Dipole, Da:

4.08

IP(EA), eV:

 -8.12(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C=C2C(C3=C(CN(C3=O)C(=O)C)NC4=C2C1=CC=C4)C5=CN(N=C5)C

DOS

IR

Vibrations