Geometry & MOs

Info

ID:

179013

PubChem CID:

76420344

Reduced:

ClN3O3F4H34C36 (1)

Stoich.:

AB3C3D4E34F36 (1)

Weight, g/mol:

663.247554

ΔHf, kcal/mol:

-260.94

Dipole, Da:

9.58

IP(EA), eV:

 -9.57(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(4-chloro-3-methylphenyl)pyrrolidine-1-carbonyl]-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)C(F)(F)F)O)C5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations