Geometry & MOs

Info

ID:	284860
PubChem CID:	104078555
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	280.088164
ΔH_f, kcal/mol:	-80.83
Dipole, Da:	7.95
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-oxo-2-(1,3-thiazol-5-yl)azepane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(N(C(=O)C1)C2CC2)C3=NC=CS3)C(=O)O

DOS

IR

Vibrations