Geometry & MOs

Info

ID:

91346

PubChem CID:

49975226

Reduced:

FN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-236.22

Dipole, Da:

8.25

IP(EA), eV:

 -9.03(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations