Geometry & MOs

Info

ID:	371960
PubChem CID:	131282634
Reduced:	BrSN3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	275.979398
ΔH_f, kcal/mol:	98.93
Dipole, Da:	1.54
IP(EA), eV:	-9.07(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NC2=NC=CS2)C#N

DOS

IR

Vibrations