Geometry & MOs

Info

ID:	414775
PubChem CID:	135087738
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	335.140259
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	2.56
IP(EA), eV:	-9.73(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations