Geometry & MOs

Info

ID:	154561
PubChem CID:	56314025
Reduced:	FSO3N4C20H25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	415.118833
ΔH_f, kcal/mol:	-106.45
Dipole, Da:	5.89
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations