Geometry & MOs

Info

ID:	246760
PubChem CID:	103064830
Reduced:	SF3N3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	5.19
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-1-(thiolan-3-yl)benzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CSCC1N2C3=C(C=C(C=C3)N)N=C2C(F)(F)F

DOS

IR

Vibrations