Geometry & MOs

Info

ID:

107483

PubChem CID:

50204896

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-318.45

Dipole, Da:

7.51

IP(EA), eV:

 -9.12(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations