Geometry & MOs

Info

ID:

107657

PubChem CID:

50212936

Reduced:

O4N5C36H45 (1)

Stoich.:

A4B5C36D45 (1)

Weight, g/mol:

657.369033

ΔHf, kcal/mol:

-145.57

Dipole, Da:

12.74

IP(EA), eV:

 -8.31(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-(2-propan-2-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)C)C

DOS

IR

Vibrations