Geometry & MOs

Info

ID:	32985
PubChem CID:	7849959
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	410.0584
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	2.84
IP(EA), eV:	-9.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/C2=CC=CC=C2C

DOS

IR

Vibrations