Geometry & MOs

Info

ID:	150219
PubChem CID:	53789906
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	468.023198
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	1.8
IP(EA), eV:	-9.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(furan-2-yl)-2-hydroxyacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC=COC(=O)C(=C)C

DOS

IR

Vibrations