Geometry & MOs

Info

ID:

116270

PubChem CID:

50553910

Reduced:

ClFO4N5C28H33 (1)

Stoich.:

ABC4D5E28F33 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-195.34

Dipole, Da:

7.57

IP(EA), eV:

 -8.99(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations