Geometry & MOs

Info

ID:	444667
PubChem CID:	135263172
Reduced:	SO3N6C24H32 (1)
Stoich.:	AB3C6D24E32 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	6.35
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-ethylsulfanyl-3H-benzimidazol-5-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CCS(=O)(=O)C)N(N=C2)C4=CC(=NC(=N4)C)N5CC(C5)O

DOS

IR

Vibrations