Geometry & MOs

Info

ID:

110597

PubChem CID:

50332163

Reduced:

ClO4N5C32H40 (1)

Stoich.:

AB4C5D32E40 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-159.49

Dipole, Da:

4.74

IP(EA), eV:

 -8.84(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)N5CCCC5

DOS

IR

Vibrations