Geometry & MOs

Info

ID:	160319
PubChem CID:	57309666
Reduced:	SO4N7C15H23 (1)
Stoich.:	AB4C7D15E23 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-94.14
Dipole, Da:	8.9
IP(EA), eV:	-8.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-amino-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-2-yl)acetate

Drug info:

PubChemData

Smile

C1C(NC(=O)CN1)C(=O)S2(CC(NC2)C(=O)N)C(=O)[C@H](CC3=CN=CN3)N

DOS

IR

Vibrations