Geometry & MOs

Info

ID:	417445
PubChem CID:	135094476
Reduced:	SO5N6C25H36 (1)
Stoich.:	AB5C6D25E36 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-153.69
Dipole, Da:	2.9
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)C(=O)COC)N=N3

DOS

IR

Vibrations