Geometry & MOs

Info

ID:	389
PubChem CID:	2694
Reduced:	N5O6C27H39 (1)
Stoich.:	A5B6C27D39 (1)
Weight, g/mol:	529.290034
ΔH_f, kcal/mol:	-235.73
Dipole, Da:	4.47
IP(EA), eV:	-9.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-benzyl-2,5,8,11-tetraoxo-3-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl)-N-hydroxyhexanamide

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CCCCCC(=O)NO

DOS

IR

Vibrations