Geometry & MOs

Info

ID:	27449
PubChem CID:	821402
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	239.134385
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	6.16
IP(EA), eV:	-10.36(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-spiro[4a,5,6,7,8,8a-hexahydro-3H-benzo[e][1,3]oxazine-4,1'-cyclohexane]-2-thione

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2CC[C@@]3([C@@H](O3)CC[C@@]4([C@@H]([C@@H]2OC1=O)O4)C)C

DOS

IR

Vibrations