Geometry & MOs

Info

ID:	423746
PubChem CID:	135120150
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	261.033876
ΔH_f, kcal/mol:	-78.72
Dipole, Da:	1.39
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)NC4=CC=CC=C4C(=O)O

DOS

IR

Vibrations