Geometry & MOs

Info

ID:

181112

PubChem CID:

76715624

Reduced:

FSN4O7C31H41 (1)

Stoich.:

ABC4D7E31F41 (1)

Weight, g/mol:

597.250872

ΔHf, kcal/mol:

-302.85

Dipole, Da:

8.47

IP(EA), eV:

 -9.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations