Geometry & MOs

Info

ID:

320741

PubChem CID:

126663152

Reduced:

F2N4O4C33H34 (1)

Stoich.:

A2B4C4D33E34 (1)

Weight, g/mol:

627.330836

ΔHf, kcal/mol:

-188.93

Dipole, Da:

4.8

IP(EA), eV:

 -8.84(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyphenyl]methyl]-4-phenylspiro[7-oxa-2,4-diazabicyclo[4.1.0]heptane-5,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(C2=CC=CC=C2N(C1=O)CCCN3CCC4(CC3)C(=O)N(CN4C5=CC=C(C=C5)F)CC6=CC(=CC=C6)C(=O)O)F

DOS

IR

Vibrations