Geometry & MOs

Info

ID:	15832
PubChem CID:	453227
Reduced:	SN3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	277.067369
ΔH_f, kcal/mol:	113.37
Dipole, Da:	2.73
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]benzonitrile

Drug info:

PubChemData

Smile

C1C2=NC3=CC=CC=C3N2[C@H](S1)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations