Geometry & MOs

Info

ID:

179012

PubChem CID:

76420343

Reduced:

F3N3O3C37H38 (1)

Stoich.:

A3B3C3D37E38 (1)

Weight, g/mol:

667.222482

ΔHf, kcal/mol:

-215.76

Dipole, Da:

7.05

IP(EA), eV:

 -9.25(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2C(=O)C3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O

DOS

IR

Vibrations