Geometry & MOs

Info

ID:	419761
PubChem CID:	135108977
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	40.15
Dipole, Da:	7.02
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CN(CC1=NNC2=C1CCC2)C(=O)C3=CC=C(O3)CSC4=NC=CC=N4

DOS

IR

Vibrations