Geometry & MOs

Info

ID:

101422

PubChem CID:

50064689

Reduced:

FN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-209.12

Dipole, Da:

13.08

IP(EA), eV:

 -8.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methoxy-5-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC

DOS

IR

Vibrations