Geometry & MOs

Info

ID:	360646
PubChem CID:	127301291
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-146.85
Dipole, Da:	6.32
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations