Geometry & MOs

Info

ID:	186255
PubChem CID:	77413082
Reduced:	O6C25H26 (1)
Stoich.:	A6B25C26 (1)
Weight, g/mol:	479.104559
ΔH_f, kcal/mol:	-209.0
Dipole, Da:	6.25
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(N-(2-aminoacetyl)-4-hydroxyanilino)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1OC(=O)C2=CC=CC=C2)C=CC(=O)CCC3=CC=CC=C3)CC(=O)O)O

DOS

IR

Vibrations