Geometry & MOs

Info

ID:	395763
PubChem CID:	135026476
Reduced:	N4O4C31H44 (1)
Stoich.:	A4B4C31D44 (1)
Weight, g/mol:	619.311785
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	5.72
IP(EA), eV:	-9.23(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-5-benzylimino-1,3,4-tris(phenylmethoxy)-8-trimethylsilyloct-7-yn-2-ol

Drug info:

PubChemData

Smile

C1CC[N@+]([C@@H](C1)C(=O)NCCC2=CC=CC=C2)(CCC[N@@+]3(CCCC[C@H]3C(=O)NCCC4=CC=CC=C4)[O-])[O-]

DOS

IR

Vibrations