Geometry & MOs

Info

ID:

112361

PubChem CID:

50404058

Reduced:

FCl2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-190.54

Dipole, Da:

7.2

IP(EA), eV:

 -8.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations