Geometry & MOs

Info

ID:	189774
PubChem CID:	77903171
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	525.141715
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	4.45
IP(EA), eV:	-8.49(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-carboxyoxy-7-[[3-(furan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2C(=C3C=CC=CC3=NC2=O)CO

DOS

IR

Vibrations