Geometry & MOs

Info

ID:

119307

PubChem CID:

50677375

Reduced:

ClN3O3C17H21 (2)

Stoich.:

AB3C3D17E21 (2)

Weight, g/mol:

674.238638

ΔHf, kcal/mol:

-256.22

Dipole, Da:

11.41

IP(EA), eV:

 -9.1(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations