Geometry & MOs

Info

ID:	417507
PubChem CID:	135096444
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	630.321749
ΔH_f, kcal/mol:	-17.42
Dipole, Da:	3.62
IP(EA), eV:	-8.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[2-[(3-fluoro-4-methylphenyl)methyl]benzoyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2CN(CC3)C4=NC=CC(=N4)N5CCCC(C5)O

DOS

IR

Vibrations