Geometry & MOs

Info

ID:	222746
PubChem CID:	85332287
Reduced:	Na2P2O11C17H18 (1)
Stoich.:	A2B2C11D17E18 (1)
Weight, g/mol:	505.06486
ΔH_f, kcal/mol:	-555.22
Dipole, Da:	40.26
IP(EA), eV:	-6.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-1-bromoethenyl]-5-aminobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OP(=O)(O)[O-])OC)OC)OP(=O)(O)[O-].[Na+].[Na+]

DOS

IR

Vibrations