Geometry & MOs

Info

ID:	200469
PubChem CID:	79392723
Reduced:	OSN3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	2.33
IP(EA), eV:	-8.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(C1)C2=NC(=C(S2)CNCCOC)C(C)C

DOS

IR

Vibrations