Geometry & MOs

Info

ID:

99737

PubChem CID:

50054728

Reduced:

ClO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-150.48

Dipole, Da:

7.12

IP(EA), eV:

 -8.64(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations