Geometry & MOs

Info

ID:	152163
PubChem CID:	56311032
Reduced:	BrFSN2C17H20 (1)
Stoich.:	ABCD2E17F20 (1)
Weight, g/mol:	434.17879
ΔH_f, kcal/mol:	6.9
Dipole, Da:	2.12
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=C(C=CS2)Br)CC3=CC=CC=C3F

DOS

IR

Vibrations