Geometry & MOs

Info

ID:

119470

PubChem CID:

50686615

Reduced:

ClN3O3C17H22 (2)

Stoich.:

AB3C3D17E22 (2)

Weight, g/mol:

742.301239

ΔHf, kcal/mol:

-261.64

Dipole, Da:

8.74

IP(EA), eV:

 -9.18(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC(C)C)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations