Geometry & MOs

Info

ID:	221748
PubChem CID:	85286103
Reduced:	N4O7C33H52 (1)
Stoich.:	A4B7C33D52 (1)
Weight, g/mol:	616.343375
ΔH_f, kcal/mol:	-355.21
Dipole, Da:	5.15
IP(EA), eV:	-9.36(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-[1-(methoxymethoxy)undec-2-enyl]oxolan-2-yl]-4-phenylmethoxybutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations