Geometry & MOs

Info

ID:

181051

PubChem CID:

76715563

Reduced:

FSN4O9C38H47 (1)

Stoich.:

ABC4D9E38F47 (1)

Weight, g/mol:

771.262363

ΔHf, kcal/mol:

-349.5

Dipole, Da:

6.87

IP(EA), eV:

 -9.59(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-N-(1-methylcyclopropyl)sulfonyl-14-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)NC(=O)OC4CC5CC5C4)OC(=O)N6CC7=C(C6)C(=CC=C7)F)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations