Geometry & MOs

Info

ID:

119897

PubChem CID:

50706451

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-137.35

Dipole, Da:

4.91

IP(EA), eV:

 -8.68(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations