Geometry & MOs

Info

ID:	95797
PubChem CID:	50015133
Reduced:	FO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	559.23616
ΔH_f, kcal/mol:	-202.23
Dipole, Da:	5.45
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations