Geometry & MOs

Info

ID:	176731
PubChem CID:	76089311
Reduced:	OC8H12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	597.090943
ΔH_f, kcal/mol:	2.83
Dipole, Da:	2.13
IP(EA), eV:	-9.8(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethoxycarbonyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-oxo-2-thiophen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

CC=CC(C)C(C#C)O

DOS

IR

Vibrations