Geometry & MOs

Info

ID:

176049

PubChem CID:

75988565

Reduced:

NO4C39H57 (1)

Stoich.:

AB4C39D57 (1)

Weight, g/mol:

1324.653509

ΔHf, kcal/mol:

169.62

Dipole, Da:

4.47

IP(EA), eV:

 -6.34(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[6-[4-[4-[[2-[1'-[2-[3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxyacetyl]-methylamino]butanoyl]-1,4-diazepan-1-yl]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)NCC6=C7C(=CC=C6)OCCO7

DOS

IR

Vibrations