Geometry & MOs

Info

ID:	121689
PubChem CID:	50777524
Reduced:	FS2N3O3C21H26 (1)
Stoich.:	AB2C3D3E21F26 (1)
Weight, g/mol:	342.107185
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	7.45
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations