Geometry & MOs

Info

ID:	105156
PubChem CID:	50106510
Reduced:	F2O3N4C29H30 (1)
Stoich.:	A2B3C4D29E30 (1)
Weight, g/mol:	536.274718
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	9.6
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-oxo-1-[4-(propanoylamino)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations