Geometry & MOs

Info

ID:

96644

PubChem CID:

50023111

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-226.33

Dipole, Da:

7.54

IP(EA), eV:

 -8.65(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations