Geometry & MOs

Info

ID:	153702
PubChem CID:	56313000
Reduced:	FSN3O4C23H30 (1)
Stoich.:	ABC3D4E23F30 (1)
Weight, g/mol:	360.167163
ΔH_f, kcal/mol:	-171.22
Dipole, Da:	6.73
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-5-methylthiophen-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)OC

DOS

IR

Vibrations