Geometry & MOs

Info

ID:	105428
PubChem CID:	50107185
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	511.259483
ΔH_f, kcal/mol:	-206.84
Dipole, Da:	9.24
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations