Geometry & MOs

Info

ID:	153699
PubChem CID:	56312993
Reduced:	FSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	384.221306
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	5.71
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=CS2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations