Geometry & MOs

Info

ID:

105184

PubChem CID:

50106573

Reduced:

ClO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

548.22574

ΔHf, kcal/mol:

-197.01

Dipole, Da:

9.06

IP(EA), eV:

 -9.0(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations