Geometry & MOs

Info

ID:	284859
PubChem CID:	104078539
Reduced:	SN2O4C9H10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	1.83
IP(EA), eV:	-9.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-oxo-2-(1,3-thiazol-2-yl)azepane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(C(OCC1=O)C(=O)O)C2=NC=CS2

DOS

IR

Vibrations