Geometry & MOs

Info

ID:	25510
PubChem CID:	626052
Reduced:	NO4S4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	485.350509
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	3.9
IP(EA), eV:	-9.32(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[butan-2-yl-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-3-(4-tert-butylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC(=O)N1C2CC(=O)SSC2CC3C1CC(=O)SS3

DOS

IR

Vibrations