Geometry & MOs

Info

ID:	205225
PubChem CID:	80071987
Reduced:	O2S2N5C11H21 (1)
Stoich.:	A2B2C5D11E21 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	6.55
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CNCCN1C(=NN=N1)SC2CCCC(C2)S(=O)(=O)C

DOS

IR

Vibrations