Geometry & MOs

Info

ID:	189656
PubChem CID:	77885286
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	424.978602
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	4.41
IP(EA), eV:	-9.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2,2-dichloroacetyl)amino]-8-oxo-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4=CC(CCC4(C3CC2)COC(=O)C=C)O

DOS

IR

Vibrations