Geometry & MOs

Info

ID:

118957

PubChem CID:

50664459

Reduced:

ClFO4N5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-208.11

Dipole, Da:

3.46

IP(EA), eV:

 -9.06(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations