Geometry & MOs

Info

ID:	151373
PubChem CID:	53801158
Reduced:	O5H14C17 (1)
Stoich.:	A5B14C17 (1)
Weight, g/mol:	423.963969
ΔH_f, kcal/mol:	-154.07
Dipole, Da:	4.06
IP(EA), eV:	-10.5(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-amino-8-oxo-3-[[5-(sulfomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations