Geometry & MOs

Info

ID:	189603
PubChem CID:	77879828
Reduced:	N3O5H11C15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	393.063071
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	9.08
IP(EA), eV:	-10.54(-2.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl 7-acetamido-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC(=NC=C(C(=O)O)C(=O)O)C(=O)N=C2

DOS

IR

Vibrations