Geometry & MOs

Info

ID:	240630
PubChem CID:	93616863
Reduced:	NO8C11H17 (1)
Stoich.:	AB8C11D17 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-341.21
Dipole, Da:	4.47
IP(EA), eV:	-10.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O

DOS

IR

Vibrations