Geometry & MOs

Info

ID:	152374
PubChem CID:	56311289
Reduced:	FSN3O3C23H34 (1)
Stoich.:	ABC3D3E23F34 (1)
Weight, g/mol:	383.237291
ΔH_f, kcal/mol:	-157.71
Dipole, Da:	5.82
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations