Geometry & MOs

Info

ID:

117365

PubChem CID:

50599888

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

689.19796

ΔHf, kcal/mol:

-199.65

Dipole, Da:

4.47

IP(EA), eV:

 -8.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2,6-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F)Cl

DOS

IR

Vibrations