Geometry & MOs

Info

ID:

119308

PubChem CID:

50677376

Reduced:

ClN3O3C16H20 (2)

Stoich.:

AB3C3D16E20 (2)

Weight, g/mol:

690.256875

ΔHf, kcal/mol:

-253.16

Dipole, Da:

7.16

IP(EA), eV:

 -9.2(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[4-[(4-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations