Geometry & MOs

Info

ID:

97628

PubChem CID:

50033167

Reduced:

FN3O3C17H19 (2)

Stoich.:

AB3C3D17E19 (2)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-305.58

Dipole, Da:

5.23

IP(EA), eV:

 -8.23(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations