Geometry & MOs

Info

ID:	178973
PubChem CID:	76411667
Reduced:	S3O5N7C23H23 (1)
Stoich.:	A3B5C7D23E23 (1)
Weight, g/mol:	326.039499
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	7.42
IP(EA), eV:	-8.78(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-3-[2-(methoxymethyl)thiophen-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)ON=C(C2=NSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)SC=CC5=CN=CC=C5)C(=O)O

DOS

IR

Vibrations