Geometry & MOs

Info

ID:

102407

PubChem CID:

50067003

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

641.197188

ΔHf, kcal/mol:

-185.37

Dipole, Da:

9.08

IP(EA), eV:

 -8.83(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,3-dichloroanilino)-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations