Geometry & MOs

Info

ID:

113894

PubChem CID:

50463111

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

695.1874

ΔHf, kcal/mol:

-266.99

Dipole, Da:

7.63

IP(EA), eV:

 -8.77(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC)C)F

DOS

IR

Vibrations