Geometry & MOs

Info

ID:	404788
PubChem CID:	135070921
Reduced:	O2C5H5 (4)
Stoich.:	A2B5C5 (4)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-277.52
Dipole, Da:	3.66
IP(EA), eV:	-8.81(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5R,7aS)-5-[(1R)-1-hydroxypropyl]-4-(N-methylanilino)-1-oxo-2-(1-phenylethyl)-5,7a-dihydro-3aH-[1,2]thiazolo[4,5-b]pyridin-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C(C=CC(=C2)OC)OC1=O)C3=C(C(=C(C=C3)O)O)OC

DOS

IR

Vibrations