Geometry & MOs

Info

ID:

334654

PubChem CID:

127253329

Reduced:

O2N5C22H31 (1)

Stoich.:

A2B5C22D31 (1)

Weight, g/mol:

505.107434

ΔHf, kcal/mol:

-15.24

Dipole, Da:

3.51

IP(EA), eV:

 -8.68(-1.12)

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-(4-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)CCCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations