Geometry & MOs

Info

ID:

118924

PubChem CID:

50663934

Reduced:

ClF3O4N5C29H33 (1)

Stoich.:

AB3C4D5E29F33 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-320.3

Dipole, Da:

3.08

IP(EA), eV:

 -9.19(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations