Geometry & MOs

Info

ID:

112935

PubChem CID:

50426102

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-275.95

Dipole, Da:

8.61

IP(EA), eV:

 -8.99(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations