Geometry & MOs

Info

ID:	177469
PubChem CID:	76189613
Reduced:	ClINO4C20H29 (1)
Stoich.:	ABCD4E20F29 (1)
Weight, g/mol:	681.421383
ΔH_f, kcal/mol:	-174.17
Dipole, Da:	5.84
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-N-tert-butyl-4,13-bis(2-methylpropyl)-6,9,12,15,18-pentaoxo-1,5,8,11,14,17-hexazatricyclo[17.3.0.03,5]docosane-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1CCC2C(CNCC2C1=O)CC3=CC(=C(C(=C3)I)OC)OC.Cl

DOS

IR

Vibrations