Geometry & MOs

Info

ID:	149002
PubChem CID:	53788673
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	469.130757
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	3.23
IP(EA), eV:	-9.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[[2-amino-2-(4-benzoyloxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCO)C(=O)NCCCN

DOS

IR

Vibrations