Geometry & MOs

Info

ID:	153163
PubChem CID:	56312311
Reduced:	FSO3N4C22H27 (1)
Stoich.:	ABC3D4E22F27 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	8.64
IP(EA), eV:	-8.96(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N)CC4=CC=CC=C4F

DOS

IR

Vibrations