Geometry & MOs

Info

ID:	13858
PubChem CID:	399407
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	4.76
IP(EA), eV:	-9.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS)-3-methyl-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzothiazepine-4,10-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2C(=O)SC3=CC=CC=C3C(=O)N2CO1

DOS

IR

Vibrations