Geometry & MOs

Info

ID:	434403
PubChem CID:	135174861
Reduced:	NS2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	369.19738
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	4.09
IP(EA), eV:	-8.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-[3-[4-(1-sulfanylethylamino)phenoxy]propoxy]propoxy]butan-2-one

Drug info:

PubChemData

Smile

CCC(=O)COCC1=CC=C(C=C1)OC2=CC=CC(=C2)NSS

DOS

IR

Vibrations