Geometry & MOs

Info

ID:	219640
PubChem CID:	85164224
Reduced:	SeSiO5C26H32 (1)
Stoich.:	ABC5D26E32 (1)
Weight, g/mol:	531.269299
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	3.99
IP(EA), eV:	-8.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-diamino-2-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-N-(2-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(C1C(=O)C2=CC=CC=C2)C([Si](C)(C)C)[Se]C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations