Geometry & MOs

Info

ID:	420659
PubChem CID:	135114623
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	315.096286
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	2.55
IP(EA), eV:	-8.73(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-methoxy-7-thiophen-2-ylsulfonyl-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N[C@H]2CNCC[C@H]2OC)C

DOS

IR

Vibrations