Geometry & MOs

Info

ID:	194463
PubChem CID:	78540558
Reduced:	FO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	383.072905
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	3.75
IP(EA), eV:	-9.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)COC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations