Geometry & MOs

Info

ID:	246759
PubChem CID:	103064829
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	287.070403
ΔH_f, kcal/mol:	33.7
Dipole, Da:	2.12
IP(EA), eV:	-8.15(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(thiolan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCSC3)C=CC(=C2)N

DOS

IR

Vibrations