Geometry & MOs

Info

ID:

101486

PubChem CID:

50064756

Reduced:

FN5O5C38H40 (1)

Stoich.:

AB5C5D38E40 (1)

Weight, g/mol:

665.301348

ΔHf, kcal/mol:

-176.93

Dipole, Da:

14.48

IP(EA), eV:

 -8.71(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-methoxybenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations