Geometry & MOs

Info

ID:	246758
PubChem CID:	103064827
Reduced:	SN3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	233.098669
ΔH_f, kcal/mol:	56.48
Dipole, Da:	1.89
IP(EA), eV:	-8.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCSC4)C=CC(=C3)N

DOS

IR

Vibrations