Geometry & MOs

Info

ID:	264714
PubChem CID:	103485157
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	369.00343
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	1.68
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=NC(=CS2)CCC(=O)OCC

DOS

IR

Vibrations