Geometry & MOs

Info

ID:	305405
PubChem CID:	124807146
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	346.121195
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	3.56
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-3-[methyl(pyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COCC[C@@H]2CN(CC3=CC=NN23)C(=O)CC4CC4

DOS

IR

Vibrations