Geometry & MOs

Info

ID:	423569
PubChem CID:	135119755
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	6.97
IP(EA), eV:	-9.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NNC(=C2)C3CC3

DOS

IR

Vibrations