Geometry & MOs

Info

ID:	54810
PubChem CID:	17389323
Reduced:	IOSBr2N2H13C16 (1)
Stoich.:	ABCD2E2F13G16 (1)
Weight, g/mol:	421.00958
ΔH_f, kcal/mol:	47.17
Dipole, Da:	5.15
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)I)Br.Br

DOS

IR

Vibrations