Geometry & MOs

Info

ID:	38461
PubChem CID:	8097540
Reduced:	F2N2O5H14C20 (1)
Stoich.:	A2B2C5D14E20 (1)
Weight, g/mol:	356.161031
ΔH_f, kcal/mol:	-213.24
Dipole, Da:	8.79
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(2-nitroanilino)-2-oxoethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations