Geometry & MOs

Info

ID:

90164

PubChem CID:

49967202

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-220.2

Dipole, Da:

9.92

IP(EA), eV:

 -8.8(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=C(C=C5)F)F)C

DOS

IR

Vibrations