Geometry & MOs

Info

ID:

117414

PubChem CID:

50602286

Reduced:

BrClN5O5C30H37 (1)

Stoich.:

ABC5D5E30F37 (1)

Weight, g/mol:

631.232825

ΔHf, kcal/mol:

-199.08

Dipole, Da:

8.87

IP(EA), eV:

 -9.06(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1Br)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations