Geometry & MOs

Info

ID:	100247
PubChem CID:	50059463
Reduced:	O4N5C32H37 (1)
Stoich.:	A4B5C32D37 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-130.33
Dipole, Da:	7.8
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-fluoroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations