Geometry & MOs

Info

ID:

94481

PubChem CID:

50001927

Reduced:

F2O4N5C31H41 (1)

Stoich.:

A2B4C5D31E41 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-262.72

Dipole, Da:

4.84

IP(EA), eV:

 -9.05(-0.5)

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-[4-chloro-3-(piperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations