Geometry & MOs

Info

ID:	309454
PubChem CID:	126546364
Reduced:	FSO4N6C21H23 (1)
Stoich.:	ABC4D6E21F23 (1)
Weight, g/mol:	394.136257
ΔH_f, kcal/mol:	-100.06
Dipole, Da:	3.9
IP(EA), eV:	-9.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[N-(diethylsulfamoyl)anilino]methyl]-3-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC(=C(C=C2)CN(C3=CN=CC=C3)S(=O)(=O)N4CCN(CC4)C(=O)C)F

DOS

IR

Vibrations