Geometry & MOs

Info

ID:

108254

PubChem CID:

50238127

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-189.34

Dipole, Da:

9.48

IP(EA), eV:

 -8.81(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations