Geometry & MOs

Info

ID:

222902

PubChem CID:

85332998

Reduced:

F3N8O8C23H23 (1)

Stoich.:

A3B8C8D23E23 (1)

Weight, g/mol:

596.212278

ΔHf, kcal/mol:

-406.5

Dipole, Da:

6.94

IP(EA), eV:

 -9.42(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[5-fluoro-1-[2-fluoro-4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methoxy]benzoyl]-2-methylindol-3-yl]acetate

Drug info:

PubChemData

Smile

C1C2=C(C=CC=C2NC(=O)CC(=O)NCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)C(=O)N1.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations