Geometry & MOs

Info

ID:

110954

PubChem CID:

50345663

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-281.63

Dipole, Da:

8.83

IP(EA), eV:

 -8.94(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations