Geometry & MOs

Info

ID:

109186

PubChem CID:

50275882

Reduced:

SO4N7C29H35 (1)

Stoich.:

AB4C7D29E35 (1)

Weight, g/mol:

643.241782

ΔHf, kcal/mol:

-99.56

Dipole, Da:

6.51

IP(EA), eV:

 -8.64(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(trifluoromethoxy)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C)C

DOS

IR

Vibrations