Geometry & MOs

Info

ID:	220637
PubChem CID:	85198118
Reduced:	NF3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	343.083806
ΔH_f, kcal/mol:	-254.32
Dipole, Da:	4.23
IP(EA), eV:	-9.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(dimethylcarbamoyloxymethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C(C)(C1=CC=CC=C1)C(C)(C(=O)OC)NC(=O)C(F)(F)F

DOS

IR

Vibrations