Geometry & MOs

Info

ID:	416433
PubChem CID:	135089446
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	326.184172
ΔH_f, kcal/mol:	34.14
Dipole, Da:	3.11
IP(EA), eV:	-8.84(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C3=NOC(=N3)C4=CC=CC=C4)C5=C1SC=C5

DOS

IR

Vibrations