Geometry & MOs

Info

ID:

169512

PubChem CID:

75114350

Reduced:

N2F3O3C17H21 (1)

Stoich.:

A2B3C3D17E21 (1)

Weight, g/mol:

604.231968

ΔHf, kcal/mol:

-270.65

Dipole, Da:

4.73

IP(EA), eV:

-9.04(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-(2,4-difluorophenyl)-1-N-(1-hydroxy-3-phenyl-1-pyrrolidin-2-ylpropan-2-yl)-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2CN3CCC2CC3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations