Geometry & MOs

Info

ID:

119970

PubChem CID:

50709110

Reduced:

ClF2O4N5H34C36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-184.1

Dipole, Da:

11.15

IP(EA), eV:

 -8.86(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations