Geometry & MOs

Info

ID:

112312

PubChem CID:

50401790

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

657.257432

ΔHf, kcal/mol:

-333.73

Dipole, Da:

2.57

IP(EA), eV:

 -8.98(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations