Geometry & MOs

Info

ID:

186205

PubChem CID:

77403838

Reduced:

FN4O6H17C23 (1)

Stoich.:

AB4C6D17E23 (1)

Weight, g/mol:

521.176914

ΔHf, kcal/mol:

-184.25

Dipole, Da:

7.62

IP(EA), eV:

 -9.24(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[6-chloro-5-fluoro-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CN(C2=O)CC3(C(=O)NC(=O)N3)C4=CC5=C(O4)C=CC6=C5C(=O)NC6)C=C1)F

DOS

IR

Vibrations