Geometry & MOs

Info

ID:	338562
PubChem CID:	127259573
Reduced:	BrSN4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	240.023645
ΔH_f, kcal/mol:	84.7
Dipole, Da:	7.58
IP(EA), eV:	-9.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]acetonitrile

Drug info:

PubChemData

Smile

C1CN(/C(=C/C#N)/N1)CC2=CN=C(S2)Br

DOS

IR

Vibrations