Geometry & MOs

Info

ID:	443217
PubChem CID:	135258144
Reduced:	S2O8N9C31H41 (1)
Stoich.:	A2B8C9D31E41 (1)
Weight, g/mol:	281.217721
ΔH_f, kcal/mol:	-271.45
Dipole, Da:	8.28
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-tridecan-7-yl-1,3-thiazole

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OCC3C4C3(OC(C4OC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)N7C=NC8=C(N=CN=C87)N)O)NC(=O)N2

DOS

IR

Vibrations