Geometry & MOs

Info

ID:	149326
PubChem CID:	53788998
Reduced:	SN3O7C18H19 (1)
Stoich.:	AB3C7D18E19 (1)
Weight, g/mol:	302.020872
ΔH_f, kcal/mol:	-234.78
Dipole, Da:	6.99
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3-acetyloxy-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,7-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@H]([C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O

DOS

IR

Vibrations