Geometry & MOs

Info

ID:

100885

PubChem CID:

50064137

Reduced:

ClFO4N5C36H43 (1)

Stoich.:

ABC4D5E36F43 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-205.56

Dipole, Da:

6.73

IP(EA), eV:

 -8.57(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C)F

DOS

IR

Vibrations