Geometry & MOs

Info

ID:

109840

PubChem CID:

50299309

Reduced:

ClF4O4N5C34H36 (1)

Stoich.:

AB4C4D5E34F36 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-344.41

Dipole, Da:

8.17

IP(EA), eV:

 -8.98(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations