Geometry & MOs

Info

ID:	180090
PubChem CID:	76575550
Reduced:	SN4O5C13H16 (1)
Stoich.:	AB4C5D13E16 (1)
Weight, g/mol:	341.091966
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	10.56
IP(EA), eV:	-9.24(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-4,4,7-trioxo-3-[(3-prop-2-enyltriazol-1-ium-1-yl)methyl]-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-])C[N+]3=NN(C=C3)CC=C

DOS

IR

Vibrations