Geometry & MOs

Info

ID:	120059
PubChem CID:	50712539
Reduced:	ClO3N4C29H39 (1)
Stoich.:	AB3C4D29E39 (1)
Weight, g/mol:	542.229598
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	6.78
IP(EA), eV:	-8.6(-0.5)
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-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations