Geometry & MOs

Info

ID:	250530
PubChem CID:	103097306
Reduced:	SN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	311.93905
ΔH_f, kcal/mol:	55.97
Dipole, Da:	4.13
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC(=N2)C(C)(C)C#N)C

DOS

IR

Vibrations