Geometry & MOs

Info

ID:

116632

PubChem CID:

50569510

Reduced:

ClN5O6C31H40 (1)

Stoich.:

AB5C6D31E40 (1)

Weight, g/mol:

706.268189

ΔHf, kcal/mol:

-231.72

Dipole, Da:

4.17

IP(EA), eV:

 -8.34(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations