Geometry & MOs

Info

ID:	218209
PubChem CID:	85089030
Reduced:	NO7C24H25 (1)
Stoich.:	AB7C24D25 (1)
Weight, g/mol:	439.050792
ΔH_f, kcal/mol:	-233.08
Dipole, Da:	0.88
IP(EA), eV:	-9.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4,4,7-trioxo-6-(quinolin-8-ylsulfonylamino)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(OCC2(C(O1)C(OC2=O)CCOC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations