Geometry & MOs

Info

ID:	391829
PubChem CID:	135010008
Reduced:	FN4O4C25H33 (1)
Stoich.:	AB4C4D25E33 (1)
Weight, g/mol:	460.243418
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	5.04
IP(EA), eV:	-9.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S,17S)-17-amino-2-benzyl-3,8,12,18-tetraoxo-1,4,9,13-tetrazacyclooctadecane-5-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@H](CN(C)OCC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N=C3C=CC(=CN3O)F

DOS

IR

Vibrations