Geometry & MOs

Info

ID:	1658
PubChem CID:	4836
Reduced:	SN4O5C10H12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	300.052841
ΔH_f, kcal/mol:	-113.7
Dipole, Da:	5.08
IP(EA), eV:	-10.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3

DOS

IR

Vibrations