Geometry & MOs

Info

ID:	54605
PubChem CID:	17388977
Reduced:	BrSN2O2C26H33 (1)
Stoich.:	ABC2D2E26F33 (1)
Weight, g/mol:	557.02092
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	2.9
IP(EA), eV:	-7.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-3-ethyl-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)C4CCCCC4)CCCO.Br

DOS

IR

Vibrations