Geometry & MOs

Info

ID:	417569
PubChem CID:	135102077
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	377.11085
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	1.05
IP(EA), eV:	-9.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-9-(2,4-difluorophenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations