Geometry & MOs

Info

ID:	436936
PubChem CID:	135213111
Reduced:	SN3O4C35H51 (1)
Stoich.:	AB3C4D35E51 (1)
Weight, g/mol:	430.229014
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	3.84
IP(EA), eV:	-8.75(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[[4-[(4-ethyl-6-methyl-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]sulfanylamino]ethoxy]ethoxy]ethanamine

Drug info:

PubChemData

Smile

CC1C(C(ON1C2CCCCCC2)C)S(=O)(=O)N3CCCCN4[C@@H](C3)[C@@H](C4CO)C5=CC=C(C=C5)C6=CC=CC(=C6C)C

DOS

IR

Vibrations