Geometry & MOs

Info

ID:	12949
PubChem CID:	219070
Reduced:	N2F6O7H12C19 (1)
Stoich.:	A2B6C7D12E19 (1)
Weight, g/mol:	494.05487
ΔH_f, kcal/mol:	-486.78
Dipole, Da:	5.88
IP(EA), eV:	-10.02(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitrophenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])OC(=O)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations