Geometry & MOs

Info

ID:	299156
PubChem CID:	117673486
Reduced:	NO2C29H33 (1)
Stoich.:	AB2C29D33 (1)
Weight, g/mol:	486.385515
ΔH_f, kcal/mol:	5.95
Dipole, Da:	3.07
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-methoxyethylsulfanyl)-N-[4-(nonanoylamino)butyl]undecanamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)/C(=C/C(/C=C\CCO)C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations