Geometry & MOs

Info

ID:

96848

PubChem CID:

50024938

Reduced:

ClFN5O5C34H37 (1)

Stoich.:

ABC5D5E34F37 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-211.35

Dipole, Da:

8.67

IP(EA), eV:

 -8.96(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations