Geometry & MOs

Info

ID:

111079

PubChem CID:

50351306

Reduced:

O4N5C35H51 (1)

Stoich.:

A4B5C35D51 (1)

Weight, g/mol:

589.287589

ΔHf, kcal/mol:

-199.55

Dipole, Da:

5.89

IP(EA), eV:

 -9.07(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C

DOS

IR

Vibrations