Geometry & MOs

Info

ID:

111735

PubChem CID:

50379084

Reduced:

FN6O7C38H45 (1)

Stoich.:

AB6C7D38E45 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-287.01

Dipole, Da:

5.78

IP(EA), eV:

 -8.66(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)N5CCOCC5

DOS

IR

Vibrations