Geometry & MOs

Info

ID:	31303
PubChem CID:	855548
Reduced:	NSO6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	284.038627
ΔH_f, kcal/mol:	-237.11
Dipole, Da:	5.15
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CS(=O)(=O)CC(=O)O

DOS

IR

Vibrations