Geometry & MOs

Info

ID:

118502

PubChem CID:

50644610

Reduced:

ClN5O5C32H44 (1)

Stoich.:

AB5C5D32E44 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-221.6

Dipole, Da:

8.72

IP(EA), eV:

 -8.76(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations