Geometry & MOs

Info

ID:

117780

PubChem CID:

50615639

Reduced:

ClF2O4N5H30C34 (1)

Stoich.:

AB2C4D5E30F34 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-173.16

Dipole, Da:

9.53

IP(EA), eV:

 -8.7(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=C(C=CC=C3F)F)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations