Geometry & MOs

Info

ID:	135668
PubChem CID:	51912864
Reduced:	NSO7C16H19 (1)
Stoich.:	ABC7D16E19 (1)
Weight, g/mol:	411.135173
ΔH_f, kcal/mol:	-254.23
Dipole, Da:	6.63
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethyl-2-oxobutyl) (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations