Geometry & MOs

Info

ID:	276965
PubChem CID:	103826015
Reduced:	BrNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	349.91414
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	2.83
IP(EA), eV:	-9.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-iodo-N-(1,3-thiazol-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)Br)OCC2=NC=CS2

DOS

IR

Vibrations