Geometry & MOs

Info

ID:	218769
PubChem CID:	85089947
Reduced:	SN5O5C24H37 (1)
Stoich.:	AB5C5D24E37 (1)
Weight, g/mol:	507.298473
ΔH_f, kcal/mol:	-169.23
Dipole, Da:	3.43
IP(EA), eV:	-9.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-N-[4-(3,4,5-trihydroxyoxan-2-yl)phenyl]-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)N=[N+]=[N-])OS(=O)(=O)O

DOS

IR

Vibrations