Geometry & MOs

Info

ID:	262529
PubChem CID:	103298437
Reduced:	FSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	302.121275
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	5.23
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-fluoropyridin-2-yl)sulfonyl-1,4-diazepan-1-yl]ethanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CN)NS(=O)(=O)C2=C(C=CC=N2)F

DOS

IR

Vibrations