Geometry & MOs

Info

ID:	153060
PubChem CID:	56312185
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	405.188626
ΔH_f, kcal/mol:	-122.96
Dipole, Da:	3.54
IP(EA), eV:	-8.83(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations