Geometry & MOs

Info

ID:	240627
PubChem CID:	93616850
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	8.66
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-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)OC

DOS

IR

Vibrations