Geometry & MOs

Info

ID:	383319
PubChem CID:	134974968
Reduced:	NSO6C14H21 (1)
Stoich.:	ABC6D14E21 (1)
Weight, g/mol:	285.121237
ΔH_f, kcal/mol:	-264.46
Dipole, Da:	6.23
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'aR,4S)-7'-hydroxy-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-7'-carbonitrile

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@]3(CNC(=S)O3)[C@@H]4[C@H](O2)OC(O4)(C)C)C

DOS

IR

Vibrations