Geometry & MOs

Info

ID:	291174
PubChem CID:	111684026
Reduced:	FSN3O3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	3.38
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(CNC(=NC)NCCCS(=O)(=O)CC1=CC=CC=C1)OC2=CC=CC=C2F

DOS

IR

Vibrations