Geometry & MOs

Info

ID:

163433

PubChem CID:

57949870

Reduced:

N2O5C41H60 (1)

Stoich.:

A2B5C41D60 (1)

Weight, g/mol:

564.221147

ΔHf, kcal/mol:

-261.35

Dipole, Da:

3.15

IP(EA), eV:

 -9.53(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5S)-1-(4-propan-2-ylphenyl)-5-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)phenyl]propan-2-ylamino]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)NCC6=CC=C(C=C6)C(=O)NCCC(=O)O

DOS

IR

Vibrations