Geometry & MOs

Info

ID:

96534

PubChem CID:

50022012

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-238.14

Dipole, Da:

3.5

IP(EA), eV:

 -9.11(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(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

CC1CCN(CC1)C(=O)C2=CC=CC(=C2NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations