Geometry & MOs

Info

ID:

114955

PubChem CID:

50503287

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

629.337733

ΔHf, kcal/mol:

-235.86

Dipole, Da:

8.58

IP(EA), eV:

 -8.94(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC(C)C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations