Geometry & MOs

Info

ID:	153415
PubChem CID:	56312608
Reduced:	SN2O2F3C21H23 (1)
Stoich.:	AB2C2D3E21F23 (1)
Weight, g/mol:	487.139962
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	3.38
IP(EA), eV:	-9.0(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C2=C(SC=C2)C(=O)NCC(C3=CC=C(C=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations