Geometry & MOs

Info

ID:	159049
PubChem CID:	57260071
Reduced:	SN5O7C20H25 (1)
Stoich.:	AB5C7D20E25 (1)
Weight, g/mol:	534.97978
ΔH_f, kcal/mol:	-254.8
Dipole, Da:	11.46
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-iodophenyl)methyl (6R,7S)-3-(acetyloxymethyl)-7-methoxy-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CNC2=C(CC1CCC3=CC=C(S3)OC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N=C(N2)N

DOS

IR

Vibrations