Geometry & MOs

Info

ID:	118002
PubChem CID:	50623753
Reduced:	ClO5N6C37H45 (1)
Stoich.:	AB5C6D37E45 (1)
Weight, g/mol:	500.219033
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	3.35
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC(C)C

DOS

IR

Vibrations