Geometry & MOs

Info

ID:	154359
PubChem CID:	56313776
Reduced:	SF2N3O3C25H25 (1)
Stoich.:	AB2C3D3E25F25 (1)
Weight, g/mol:	360.167163
ΔH_f, kcal/mol:	-139.05
Dipole, Da:	2.95
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4F

DOS

IR

Vibrations