Geometry & MOs

Info

ID:

91591

PubChem CID:

49977224

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-239.47

Dipole, Da:

9.25

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations