Geometry & MOs

Info

ID:	329047
PubChem CID:	126730768
Reduced:	S3O6N15C25H37 (1)
Stoich.:	A3B6C15D25E37 (1)
Weight, g/mol:	686.41173
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	4.73
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[2-[2-[methyl(prop-2-ynyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-11-tritylsulfanylundecanamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)SCCC(=O)O)NCCNC2=NC(=NC(=N2)SCCC(=O)O)NCCNC3=NC(=NC(=N3)NCCN)SCCC(=O)O

DOS

IR

Vibrations