Geometry & MOs

Info

ID:	60827
PubChem CID:	26702513
Reduced:	NF3O4H20C23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	466.094705
ΔH_f, kcal/mol:	-242.81
Dipole, Da:	4.89
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)F)OC(F)F

DOS

IR

Vibrations