Geometry & MOs

Info

ID:	424659
PubChem CID:	135123535
Reduced:	F2O3N4H14C20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	6.74
IP(EA), eV:	-9.16(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-ethyl-4-methylbenzotriazol-5-yl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CC2(C1)C3=C(C(=CC(=C3)C4=CN(N=C4)C5=C(C=C(C=C5)F)F)[N+](=O)[O-])NC2=O

DOS

IR

Vibrations