Geometry & MOs

Info

ID:	149795
PubChem CID:	53789472
Reduced:	N2O2H6C9 (1)
Stoich.:	A2B2C6D9 (1)
Weight, g/mol:	378.088557
ΔH_f, kcal/mol:	91.96
Dipole, Da:	4.14
IP(EA), eV:	-9.57(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=NC(=NC3=CC=CC=C32)O1

DOS

IR

Vibrations