Geometry & MOs

Info

ID:

393221

PubChem CID:

135019769

Reduced:

SN7O11C29H39 (1)

Stoich.:

AB7C11D29E39 (1)

Weight, g/mol:

552.09099

ΔHf, kcal/mol:

-370.52

Dipole, Da:

15.01

IP(EA), eV:

 -9.25(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E)-1-[iodo(phenyl)methylidene]-8,9-dimethoxy-N-(4-methylphenyl)-6,10b-dihydro-5H-[1,3]oxazolo[4,3-a]isoquinolin-3-imine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=NCCNC1=C(C=C(C=C1)C(=O)NC[C@H](C(=O)O)NS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations