Geometry & MOs

Info

ID:	363191
PubChem CID:	127310259
Reduced:	O2N7C15H19 (1)
Stoich.:	A2B7C15D19 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	5.14
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-oxo-1,4-thiazinan-4-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C2=C(N=C1N3CCC(CC3)N4C=CN=C4)N(C(=O)NC2=O)C

DOS

IR

Vibrations