Geometry & MOs

Info

ID:	240620
PubChem CID:	93616820
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	326.130028
ΔH_f, kcal/mol:	-149.73
Dipole, Da:	5.27
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N[C@@H]2CCCCNC2=O)C

DOS

IR

Vibrations