Geometry & MOs

Info

ID:

125185

PubChem CID:

50913747

Reduced:

FN2H9C16 (1)

Stoich.:

AB2C9D16 (1)

Weight, g/mol:

1076.341159

ΔHf, kcal/mol:

90.77

Dipole, Da:

1.09

IP(EA), eV:

-9.24(-1.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[2-[2-fluoro-4-[[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]-N-(2,2,2-trifluoroethyl)propanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=N2)C#CC3=CC=C(C=C3)F)N=C1

DOS

IR

Vibrations