Geometry & MOs

Info

ID:	138034
PubChem CID:	52301571
Reduced:	S2O3N4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	384.128983
ΔH_f, kcal/mol:	-99.68
Dipole, Da:	18.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760406
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2R)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)C[NH+]3CCCC[C@@H]3CCNS(=O)(=O)C

DOS

IR

Vibrations