Geometry & MOs

Info

ID:	153704
PubChem CID:	56313002
Reduced:	FSN2O4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	372.167163
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	8.14
IP(EA), eV:	-8.65(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations