Geometry & MOs

Info

ID:	343478
PubChem CID:	127266651
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	319.124215
ΔH_f, kcal/mol:	24.66
Dipole, Da:	8.26
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-6-[[2-(methylsulfonylmethyl)anilino]methyl]phenol

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)N3CCOC[C@@H]3CC4=CC=CC=C4

DOS

IR

Vibrations