Geometry & MOs

Info

ID:	372
PubChem CID:	2669
Reduced:	SN3O8C16H21 (1)
Stoich.:	AB3C8D16E21 (1)
Weight, g/mol:	415.104936
ΔH_f, kcal/mol:	-325.84
Dipole, Da:	5.1
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[(5-amino-5-carboxypentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O

DOS

IR

Vibrations