Geometry & MOs

Info

ID:

180366

PubChem CID:

76622588

Reduced:

F3N4O6H27C28 (1)

Stoich.:

A3B4C6D27E28 (1)

Weight, g/mol:

592.250869

ΔHf, kcal/mol:

-289.85

Dipole, Da:

5.93

IP(EA), eV:

 -8.91(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C3=NC(=C(O3)C(CO)N)C(=O)N4CCOC(C4)COC5=CC=CC=C5)C=CC(=N2)C(F)(F)F

DOS

IR

Vibrations