Geometry & MOs

Info

ID:	179409
PubChem CID:	76478446
Reduced:	FN3O5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	449.082761
ΔH_f, kcal/mol:	-204.07
Dipole, Da:	6.42
IP(EA), eV:	-8.39(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-7-oxo-3-[[4-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]phenoxy]methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3C(O3)C(=O)O

DOS

IR

Vibrations