Geometry & MOs

Info

ID:

334233

PubChem CID:

127252785

Reduced:

SN4O8C35H36 (1)

Stoich.:

AB4C8D35E36 (1)

Weight, g/mol:

498.119379

ΔHf, kcal/mol:

-183.44

Dipole, Da:

10.15

IP(EA), eV:

 -8.33(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]spiro[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)NC4=NC(=CS4)C5=CC6=C(C=C5)OCO6)OC)OC)OC

DOS

IR

Vibrations