Geometry & MOs

Info

ID:

115866

PubChem CID:

50537053

Reduced:

Cl3O4N5C32H40 (1)

Stoich.:

A3B4C5D32E40 (1)

Weight, g/mol:

697.240945

ΔHf, kcal/mol:

-200.75

Dipole, Da:

7.17

IP(EA), eV:

 -8.86(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)Cl)Cl

DOS

IR

Vibrations