Geometry & MOs

Info

ID:	28778
PubChem CID:	829577
Reduced:	NOSH17C20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	214.113984
ΔH_f, kcal/mol:	48.76
Dipole, Da:	2.9
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,8aS)-8-methyl-8-propan-2-yl-5,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S[C@H](C2)C4=CC=CO4

DOS

IR

Vibrations