Geometry & MOs

Info

ID:

119222

PubChem CID:

50674209

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-222.6

Dipole, Da:

8.64

IP(EA), eV:

 -9.05(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations