Geometry & MOs

Info

ID:	240619
PubChem CID:	93616818
Reduced:	FSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	326.130028
ΔH_f, kcal/mol:	-176.23
Dipole, Da:	6.88
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N[C@@H]2CCCCNC2=O)F

DOS

IR

Vibrations