Geometry & MOs

Info

ID:	313164
PubChem CID:	126612352
Reduced:	O4C27H30 (1)
Stoich.:	A4B27C30 (1)
Weight, g/mol:	196.078268
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	2.84
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrimidin-5-yl)-1,2,6-thiadiazinane

Drug info:

PubChemData

Smile

CC1[C@@H](C(C[C@H](O1)OC2=CC=CC=C2C)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations