Geometry & MOs

Info

ID:

119024

PubChem CID:

50667993

Reduced:

ClN4O4C27H33 (1)

Stoich.:

AB4C4D27E33 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-155.35

Dipole, Da:

4.37

IP(EA), eV:

 -8.94(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations