Geometry & MOs

Info

ID:	35942
PubChem CID:	7980525
Reduced:	BrFSN2O3C16H16 (1)
Stoich.:	ABCD2E3F16G16 (1)
Weight, g/mol:	344.116092
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	6.51
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(cyanomethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations