Geometry & MOs

Info

ID:	237984
PubChem CID:	92728619
Reduced:	SO2N6C24H36 (1)
Stoich.:	AB2C6D24E36 (1)
Weight, g/mol:	484.287198
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	2.55
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(diethylamino)propyl]-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CCCNC(=O)C2CCN(CC2)C3=NN4C(=O)C5=C(CCCC5)N=C4S3

DOS

IR

Vibrations