Geometry & MOs

Info

ID:	303713
PubChem CID:	124490089
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-176.05
Dipole, Da:	5.64
IP(EA), eV:	-9.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,6R)-6-(butylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)N[C@H]1[C@@H]2N(C1=O)[C@@H](C(S2)(C)C)C(=O)O

DOS

IR

Vibrations