Geometry & MOs

Info

ID:	161
PubChem CID:	2212
Reduced:	N5O6C33H47 (1)
Stoich.:	A5B6C33D47 (1)
Weight, g/mol:	609.352634
ΔH_f, kcal/mol:	-212.76
Dipole, Da:	8.48
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)C3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC

DOS

IR

Vibrations