Geometry & MOs

Info

ID:	277474
PubChem CID:	103828838
Reduced:	BrFSN2O2C13H18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	290.073656
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	5.21
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-aminopropylsulfamoyl)-4-fluorobenzoate

Drug info:

PubChemData

Smile

CNCC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations