Geometry & MOs

Info

ID:

108029

PubChem CID:

50227567

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

553.306433

ΔHf, kcal/mol:

-188.35

Dipole, Da:

6.66

IP(EA), eV:

 -8.6(-0.48)

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-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations