Geometry & MOs

Info

ID:	117476
PubChem CID:	50604190
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	503.17356
ΔH_f, kcal/mol:	-164.72
Dipole, Da:	6.57
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C

DOS

IR

Vibrations