Geometry & MOs

Info

ID:

112585

PubChem CID:

50412245

Reduced:

FO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-210.45

Dipole, Da:

3.42

IP(EA), eV:

 -8.77(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(3-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C(=O)NC

DOS

IR

Vibrations