Geometry & MOs

Info

ID:	421137
PubChem CID:	135115434
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	603.363199
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	5.3
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CCO[C@H]1COC[C@@H]1NC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations