Geometry & MOs

Info

ID:	240626
PubChem CID:	93616849
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	328.109293
ΔH_f, kcal/mol:	-168.72
Dipole, Da:	5.43
IP(EA), eV:	-8.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-[(3S)-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