Geometry & MOs

Info

ID:

181148

PubChem CID:

76715660

Reduced:

N3O6C34H45 (1)

Stoich.:

A3B6C34D45 (1)

Weight, g/mol:

654.237528

ΔHf, kcal/mol:

-237.12

Dipole, Da:

6.54

IP(EA), eV:

 -9.28(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 18-(1,3-benzothiazol-2-yloxy)-2,15-dioxo-14-[[3-(trifluoromethyl)phenyl]methyl]-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)C)C(=O)N4CCCC4C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations