Geometry & MOs

Info

ID:	146288
PubChem CID:	53664427
Reduced:	N3O8C18H27 (1)
Stoich.:	A3B8C18D27 (1)
Weight, g/mol:	316.156912
ΔH_f, kcal/mol:	-337.76
Dipole, Da:	6.74
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(2S)-2-(tert-butylamino)morpholin-4-yl]-1,2,5-thiadiazol-3-yl]oxy]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)C(C1=CC=CC=C1)[C@@H](C(=O)O)N)O)O)O)N

DOS

IR

Vibrations