Geometry & MOs

Info

ID:

334295

PubChem CID:

127252847

Reduced:

O9H22C32 (1)

Stoich.:

A9B22C32 (1)

Weight, g/mol:

672.235077

ΔHf, kcal/mol:

-250.57

Dipole, Da:

5.87

IP(EA), eV:

 -8.68(-1.34)

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-ethyl-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CC1=C(OC2=C1C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations