Geometry & MOs

Info

ID:	28170
PubChem CID:	825978
Reduced:	NOC10H12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	4.36
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-5-methyl-5-[2-(4-methylanilino)-1,3-thiazol-4-yl]-3-propan-2-yloxolan-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4(CCN3CC4)C=C)O

DOS

IR

Vibrations