Geometry & MOs

Info

ID:

119508

PubChem CID:

50688323

Reduced:

ClN3O3C16H20 (2)

Stoich.:

AB3C3D16E20 (2)

Weight, g/mol:

702.293261

ΔHf, kcal/mol:

-256.36

Dipole, Da:

1.36

IP(EA), eV:

 -9.35(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations