Geometry & MOs

Info

ID:	146692
PubChem CID:	53730877
Reduced:	S2O3C25H44 (1)
Stoich.:	A2B3C25D44 (1)
Weight, g/mol:	424.051127
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	4.9
IP(EA), eV:	-8.78(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-5-carboxypent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCC(C=C[C@H]1CCC2([C@@H]1CCC3SCCS3)OCC(CO2)(C)C)O

DOS

IR

Vibrations