Geometry & MOs

Info

ID:	54595
PubChem CID:	17388961
Reduced:	BrSN2O2C26H27 (1)
Stoich.:	ABC2D2E26F27 (1)
Weight, g/mol:	569.06538
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	4.31
IP(EA), eV:	-8.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)imino-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-3-yl]ethanol;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)CCCO.Br

DOS

IR

Vibrations