Geometry & MOs

Info

ID:

334906

PubChem CID:

127253712

Reduced:

SN5O7C40H45 (1)

Stoich.:

AB5C7D40E45 (1)

Weight, g/mol:

464.171414

ΔHf, kcal/mol:

-166.85

Dipole, Da:

5.44

IP(EA), eV:

 -7.89(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=C(NC3=C2C=C(C=C3)OC)C)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations