Geometry & MOs

Info

ID:	392
PubChem CID:	2698
Reduced:	N5O6C28H41 (1)
Stoich.:	A5B6C28D41 (1)
Weight, g/mol:	543.305684
ΔH_f, kcal/mol:	-237.63
Dipole, Da:	8.62
IP(EA), eV:	-9.24(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations