Geometry & MOs

Info

ID:	148237
PubChem CID:	53787899
Reduced:	IN2S2O4H17C21 (1)
Stoich.:	AB2C2D4E17F21 (1)
Weight, g/mol:	551.96745
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	6.13
IP(EA), eV:	-9.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC(=CC=C4)I

DOS

IR

Vibrations