Geometry & MOs

Info

ID:

105258

PubChem CID:

50106767

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

549.219904

ΔHf, kcal/mol:

-183.95

Dipole, Da:

6.0

IP(EA), eV:

 -8.89(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C)Cl

DOS

IR

Vibrations