Geometry & MOs

Info

ID:	416762
PubChem CID:	135090313
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	361.163771
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	6.33
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4S)-3-carboxy-4-hydroxy-3-propylpiperidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=NN2)C3=CC=CC=N3

DOS

IR

Vibrations