Geometry & MOs

Info

ID:

335075

PubChem CID:

127253881

Reduced:

O6H16C23 (1)

Stoich.:

A6B16C23 (1)

Weight, g/mol:

541.164949

ΔHf, kcal/mol:

-139.06

Dipole, Da:

3.99

IP(EA), eV:

 -8.9(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC(=CC=C5)O

DOS

IR

Vibrations