Geometry & MOs

Info

ID:

107431

PubChem CID:

50202948

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-254.2

Dipole, Da:

7.23

IP(EA), eV:

 -9.16(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[3-(phenylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations