Geometry & MOs

Info

ID:	189283
PubChem CID:	77837865
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	-225.39
Dipole, Da:	9.43
IP(EA), eV:	-8.99(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-7-oxo-3-pyridin-4-yl-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CC(C(=O)O)NC2=CC=CC=C2)N

DOS

IR

Vibrations