Geometry & MOs

Info

ID:

119682

PubChem CID:

50696371

Reduced:

ClN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

716.285589

ΔHf, kcal/mol:

-225.38

Dipole, Da:

5.67

IP(EA), eV:

 -8.47(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations