Geometry & MOs

Info

ID:	120057
PubChem CID:	50712537
Reduced:	ClSO4N6C25H33 (1)
Stoich.:	ABC4D6E25F33 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	-144.27
Dipole, Da:	8.13
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-(2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=NC=CS3

DOS

IR

Vibrations