Geometry & MOs

Info

ID:

434790

PubChem CID:

135175711

Reduced:

N3O3F4H21C24 (1)

Stoich.:

A3B3C4D21E24 (1)

Weight, g/mol:

637.251891

ΔHf, kcal/mol:

-234.48

Dipole, Da:

0.38

IP(EA), eV:

 -8.64(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(4-aminopiperidin-1-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-2-[4-(cyclohexylmethoxy)phenyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=C(C=C(C=C4)C(F)(F)F)F)C(=O)OC

DOS

IR

Vibrations