Geometry & MOs

Info

ID:

334869

PubChem CID:

127253675

Reduced:

NO7C27H27 (1)

Stoich.:

AB7C27D27 (1)

Weight, g/mol:

619.208528

ΔHf, kcal/mol:

-193.15

Dipole, Da:

4.12

IP(EA), eV:

 -8.64(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,2'Z,5'R)-7-chloro-2'-[[3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)anilino]methylidene]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations