Geometry & MOs

Info

ID:

220013

PubChem CID:

85165143

Reduced:

FPN6O10C26H26 (1)

Stoich.:

ABC6D10E26F26 (1)

Weight, g/mol:

632.270936

ΔHf, kcal/mol:

-271.39

Dipole, Da:

12.95

IP(EA), eV:

 -10.37(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl [[2-methyl-3-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC3=C2N=CN=C3F)CO)OP(=O)(OCCC4=CC=C(C=C4)[N+](=O)[O-])OCCC5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations