Geometry & MOs

Info

ID:

96752

PubChem CID:

50024189

Reduced:

FN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-243.63

Dipole, Da:

9.5

IP(EA), eV:

 -9.09(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclopentylcarbamoyl)anilino]-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)NCC(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations