Geometry & MOs

Info

ID:	152264
PubChem CID:	56311159
Reduced:	FO2N5C28H38 (1)
Stoich.:	AB2C5D28E38 (1)
Weight, g/mol:	434.17879
ΔH_f, kcal/mol:	-90.85
Dipole, Da:	2.43
IP(EA), eV:	-8.65(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations