Geometry & MOs

Info

ID:

110737

PubChem CID:

50338337

Reduced:

ClFO4N5C29H29 (1)

Stoich.:

ABC4D5E29F29 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-159.56

Dipole, Da:

3.36

IP(EA), eV:

 -8.88(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations