Geometry & MOs

Info

ID:	147177
PubChem CID:	53786830
Reduced:	ClN5O5C23H28 (1)
Stoich.:	AB5C5D23E28 (1)
Weight, g/mol:	531.092263
ΔH_f, kcal/mol:	-145.55
Dipole, Da:	5.7
IP(EA), eV:	-9.2(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-[(2-anilinoacetyl)amino]-3-dibenzofuran-3-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N(C(=O)COC1=CC=C(C=C1)Cl)[C@@](CCCN=C(N)N)(C(=O)O)NCC2=CC=CC=C2

DOS

IR

Vibrations