Geometry & MOs

Info

ID:

186457

PubChem CID:

77436751

Reduced:

IN2H37C53 (1)

Stoich.:

AB2C37D53 (1)

Weight, g/mol:

465.245911

ΔHf, kcal/mol:

239.2

Dipole, Da:

2.55

IP(EA), eV:

 -8.1(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-amino-3-[4-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluoropyridin-4-yl]-3-methyl-1,2-oxazol-5-yl]propanoate

Drug info:

PubChemData

Smile

C1C(C(=CC2=C1N(C3=C2C=C(C=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC(=CC(=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC=C1)I

DOS

IR

Vibrations