Geometry & MOs

Info

ID:	380323
PubChem CID:	134970733
Reduced:	NSO5C24H31 (1)
Stoich.:	ABC5D24E31 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-179.46
Dipole, Da:	3.78
IP(EA), eV:	-8.72(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S,5S)-5-acetyloxy-2-ethylsulfanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]azaniumyl]iminoazanide

Drug info:

PubChemData

Smile

CCSC1[C@@H](OC([C@H](C1OCC2=CC=CC=C2)OC(=O)C)COCC3=CC=CC=C3)N

DOS

IR

Vibrations