Geometry & MOs

Info

ID:	314199
PubChem CID:	126620893
Reduced:	NSO3C29H39 (1)
Stoich.:	ABC3D29E39 (1)
Weight, g/mol:	392.192235
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	3.62
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(N-[2-(2,4-dimethylphenyl)sulfanylphenyl]anilino)ethylamino]ethanol

Drug info:

PubChemData

Smile

C=C/C=C\C1=C(N(C(=O)C1/C(=C/C=C)/C=C\C=C)S(=O)(=O)C2CCCCCCCCCC2)C=C

DOS

IR

Vibrations