Geometry & MOs

Info

ID:	51202
PubChem CID:	12013840
Reduced:	ON2C23H34 (1)
Stoich.:	AB2C23D34 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	1.58
IP(EA), eV:	-8.39(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3[C@H]4[C@@H](CN3C2(C)C)[C@@H](CN4C)C5=CC=CC=C5

DOS

IR

Vibrations