Geometry & MOs

Info

ID:	152736
PubChem CID:	56311795
Reduced:	SF2O2N3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	403.207133
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	4.45
IP(EA), eV:	-9.31(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)SC(F)F

DOS

IR

Vibrations