Geometry & MOs

Info

ID:	118046
PubChem CID:	50626022
Reduced:	ClO4N5C31H42 (1)
Stoich.:	AB4C5D31E42 (1)
Weight, g/mol:	603.23791
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	9.23
IP(EA), eV:	-8.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[4-chloro-2-(diethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NCC(C)C)C)Cl

DOS

IR

Vibrations