Geometry & MOs

Info

ID:	189269
PubChem CID:	77836111
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	399.153571
ΔH_f, kcal/mol:	71.2
Dipole, Da:	5.08
IP(EA), eV:	-8.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(hydroxymethyl)-7-oxo-5-prop-2-enyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)NC(=O)C2=CC3C4C(CCCN4C)C5=C6C3=C2NC6=CC=C5

DOS

IR

Vibrations