Geometry & MOs

Info

ID:	188333
PubChem CID:	77700624
Reduced:	FSN2O3C13H21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	484.260708
ΔH_f, kcal/mol:	-165.95
Dipole, Da:	0.67
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-acetyl-6,7-dibutoxy-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl)-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC(C1C2C(C3C(O1)SC(=N3)N(C)C)OC(O2)(C)C)F

DOS

IR

Vibrations