Geometry & MOs

Info

ID:	134460
PubChem CID:	51699715
Reduced:	ON3C11H20 (1)
Stoich.:	AB3C11D20 (1)
Weight, g/mol:	386.087118
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	4.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777771
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)sulfanyl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC[N+]1=C(NC=C1)CNC[C@@H]2CCCO2

DOS

IR

Vibrations