Geometry & MOs

Info

ID:

334874

PubChem CID:

127253680

Reduced:

N5O6C36H41 (1)

Stoich.:

A5B6C36D41 (1)

Weight, g/mol:

514.187064

ΔHf, kcal/mol:

-144.84

Dipole, Da:

9.22

IP(EA), eV:

 -8.01(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)N4CCC[C@H]4C5=NC6=CC=CC=C6N5)OC)OC)OC

DOS

IR

Vibrations