Geometry & MOs

Info

ID:	154024
PubChem CID:	56313384
Reduced:	FON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	2.54
IP(EA), eV:	-8.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations