Geometry & MOs

Info

ID:	435270
PubChem CID:	135187324
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	3250.713106
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	3.34
IP(EA), eV:	-9.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[11-[3,5-bis[(3,4,5-tridodecoxyphenyl)methoxy]benzoyl]oxyundecyldisulfanyl]undecyl 3,5-bis[(3,4,5-tridodecoxyphenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

C[C@@]12CN(CC[C@H]1C(C(=O)C(=C2)C#N)(C)C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations