Geometry & MOs

Info

ID:	374475
PubChem CID:	131329954
Reduced:	NOSCl2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	229.95133
ΔH_f, kcal/mol:	-6.96
Dipole, Da:	2.88
IP(EA), eV:	-10.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-propan-2-yl-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=O)C(S2)CCl)Cl

DOS

IR

Vibrations