Geometry & MOs

Info

ID:	240622
PubChem CID:	93616838
Reduced:	SF2N2O3C12H14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-184.78
Dipole, Da:	7.8
IP(EA), eV:	-9.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NS(=O)(=O)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations