Geometry & MOs

Info

ID:

111434

PubChem CID:

50366823

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

736.431219

ΔHf, kcal/mol:

-287.47

Dipole, Da:

8.46

IP(EA), eV:

 -8.93(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[3-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations