Geometry & MOs

Info

ID:	154358
PubChem CID:	56313775
Reduced:	FSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	485.158469
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	5.14
IP(EA), eV:	-8.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CSC(=N2)NC(=O)C3=CC=CO3)CC4=CC=CC=C4F

DOS

IR

Vibrations