Geometry & MOs

Info

ID:	154870
PubChem CID:	56314413
Reduced:	FSN3O5C23H30 (1)
Stoich.:	ABC3D5E23F30 (1)
Weight, g/mol:	358.18567
ΔH_f, kcal/mol:	-193.75
Dipole, Da:	6.47
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F)OC

DOS

IR

Vibrations