Geometry & MOs

Info

ID:	112399
PubChem CID:	50405860
Reduced:	Cl2O4N5C25H29 (1)
Stoich.:	A2B4C5D25E29 (1)
Weight, g/mol:	553.306433
ΔH_f, kcal/mol:	-156.62
Dipole, Da:	6.26
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)NC

DOS

IR

Vibrations