Geometry & MOs

Info

ID:

334890

PubChem CID:

127253696

Reduced:

N5O6C31H39 (1)

Stoich.:

A5B6C31D39 (1)

Weight, g/mol:

542.02441

ΔHf, kcal/mol:

-119.82

Dipole, Da:

6.41

IP(EA), eV:

 -8.53(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-3'-[(5-bromoquinolin-8-yl)amino]-7-chloro-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)CCCNC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations