Geometry & MOs

Info

ID:	421032
PubChem CID:	135115260
Reduced:	OF3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	608.368619
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	4.21
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-(pyridin-4-ylmethyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC(C)(C1=NN=C(O1)NCC2=CC=CC=C2C(F)(F)F)N

DOS

IR

Vibrations