Geometry & MOs

Info

ID:	217010
PubChem CID:	85087115
Reduced:	N2O5C16H26 (1)
Stoich.:	A2B5C16D26 (1)
Weight, g/mol:	324.044979
ΔH_f, kcal/mol:	-240.12
Dipole, Da:	6.04
IP(EA), eV:	-9.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(ethylsulfonylamino)-3,3-dimethyl-4,7-dioxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(=O)C=C1NC(=O)C(CN1C2CC(C(O2)CO)O)C

DOS

IR

Vibrations