Geometry & MOs

Info

ID:

111731

PubChem CID:

50378951

Reduced:

F3O4N5C31H38 (1)

Stoich.:

A3B4C5D31E38 (1)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-288.86

Dipole, Da:

4.44

IP(EA), eV:

 -8.94(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C(=C(C=C4)F)F)F)C

DOS

IR

Vibrations