Geometry & MOs

Info

ID:	242996
PubChem CID:	99214913
Reduced:	NSO3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	449.187209
ΔH_f, kcal/mol:	-207.37
Dipole, Da:	8.58
IP(EA), eV:	-9.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyethoxy)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations