Geometry & MOs

Info

ID:

115188

PubChem CID:

50512757

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-196.73

Dipole, Da:

2.42

IP(EA), eV:

 -9.07(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[3-(propylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F)Cl

DOS

IR

Vibrations