Geometry & MOs

Info

ID:

115642

PubChem CID:

50529915

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-253.05

Dipole, Da:

7.57

IP(EA), eV:

 -8.83(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations