Geometry & MOs

Info

ID:	189654
PubChem CID:	77885284
Reduced:	S2O6N7C13H21 (1)
Stoich.:	A2B6C7D13E21 (1)
Weight, g/mol:	417.088909
ΔH_f, kcal/mol:	-168.33
Dipole, Da:	8.39
IP(EA), eV:	-9.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[1-[2-(carboxymethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C2N(C1=O)CC(C(S2)N)(CSC3=NN=NN3CCNCC(=O)O)C(=O)O.O

DOS

IR

Vibrations