Geometry & MOs

Info

ID:

108491

PubChem CID:

50247582

Reduced:

ClF2N6O6C37H41 (1)

Stoich.:

AB2C6D6E37F41 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-301.86

Dipole, Da:

6.9

IP(EA), eV:

 -9.04(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations