Geometry & MOs

Info

ID:	425663
PubChem CID:	135127228
Reduced:	S2N3O4C21H31 (1)
Stoich.:	A2B3C4D21E31 (1)
Weight, g/mol:	437.158685
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	3.8
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl] (2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](CC[C@H]1C(=O)N2CCSC2S)NOCC3=CC=CC=C3

DOS

IR

Vibrations