Geometry & MOs

Info

ID:	200497
PubChem CID:	79400391
Reduced:	BrN2S2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	265.97246
ΔH_f, kcal/mol:	41.04
Dipole, Da:	4.8
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-1,3-thiazol-2-yl)amino]-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CNC2=NC(=CS2)Br)C

DOS

IR

Vibrations