Geometry & MOs

Info

ID:	51205
PubChem CID:	12013843
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	2.32
IP(EA), eV:	-8.26(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,7R,7aR)-2-(4-methylanilino)-6-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d][1,3]thiazol-7-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=N[C@@H]3CO[C@@H]([C@H]([C@@H]3S2)O)OCC4=CC=CC=C4

DOS

IR

Vibrations