Geometry & MOs

Info

ID:

93897

PubChem CID:

49997557

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-179.27

Dipole, Da:

8.08

IP(EA), eV:

 -8.94(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations