Geometry & MOs

Info

ID:	34104
PubChem CID:	7889825
Reduced:	BrNSO2H16C18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	363.07543
ΔH_f, kcal/mol:	-20.88
Dipole, Da:	5.11
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations