Geometry & MOs

Info

ID:

94501

PubChem CID:

50002008

Reduced:

BrO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

567.322083

ΔHf, kcal/mol:

-179.99

Dipole, Da:

8.52

IP(EA), eV:

 -8.79(-0.55)

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-fluoro-2-methylanilino)-3-oxopropyl]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)Br)C

DOS

IR

Vibrations