Geometry & MOs

Info

ID:	19340
PubChem CID:	561975
Reduced:	NO2S3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	497.151693
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	5.86
IP(EA), eV:	-8.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-methyl-N-[1-(2-phenyl-1,3-dithian-2-yl)propan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(C)CC3(SCCCS3)C4=CC=CC=C4

DOS

IR

Vibrations