Geometry & MOs

Info

ID:	51209
PubChem CID:	12013848
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	1.61
IP(EA), eV:	-8.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,7S,7aS)-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