Geometry & MOs

Info

ID:	32903
PubChem CID:	7849317
Reduced:	BrFSO4H14C16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	408.079136
ΔH_f, kcal/mol:	-174.69
Dipole, Da:	5.42
IP(EA), eV:	-10.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations