Geometry & MOs

Info

ID:	360
PubChem CID:	2653
Reduced:	S3O4N8H12C13 (1)
Stoich.:	A3B4C8D12E13 (1)
Weight, g/mol:	440.014364
ΔH_f, kcal/mol:	27.6
Dipole, Da:	3.38
IP(EA), eV:	-9.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CN3C=NN=N3)C(=O)O)CSC4=NN=CS4

DOS

IR

Vibrations