Geometry & MOs

Info

ID:	51206
PubChem CID:	12013844
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	390.080491
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	1.2
IP(EA), eV:	-8.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=N[C@@H]3CO[C@@H]([C@H]([C@@H]3S2)O)OCC4=CC=CC=C4

DOS

IR

Vibrations