Geometry & MOs

Info

ID:

181096

PubChem CID:

76715608

Reduced:

FSN4O7C42H53 (1)

Stoich.:

ABC4D7E42F53 (1)

Weight, g/mol:

580.278466

ΔHf, kcal/mol:

-281.31

Dipole, Da:

5.21

IP(EA), eV:

 -8.51(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzoxazol-2-yloxy)-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)NC7=CC=CC(=C7)C(C)(C)C

DOS

IR

Vibrations