Geometry & MOs

Info

ID:

94507

PubChem CID:

50002047

Reduced:

F2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-266.02

Dipole, Da:

8.55

IP(EA), eV:

 -8.8(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(phenylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations