Geometry & MOs

Info

ID:

177292

PubChem CID:

76161904

Reduced:

FSN2O4C21H21 (1)

Stoich.:

ABC2D4E21F21 (1)

Weight, g/mol:

577.209197

ΔHf, kcal/mol:

-111.29

Dipole, Da:

6.65

IP(EA), eV:

 -8.81(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[8-[(3-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2C3CN(C4=CC=CC=C4C3C2CO)S(=O)(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations