Geometry & MOs

Info

ID:

108053

PubChem CID:

50228451

Reduced:

F2O4N5C35H41 (1)

Stoich.:

A2B4C5D35E41 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-235.47

Dipole, Da:

9.0

IP(EA), eV:

 -8.98(-0.86)

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-[3-(methylcarbamoyl)phenyl]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=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)C

DOS

IR

Vibrations