Geometry & MOs

Info

ID:	12189
PubChem CID:	132079
Reduced:	N4O5C24H40 (1)
Stoich.:	A4B5C24D40 (1)
Weight, g/mol:	464.29987
ΔH_f, kcal/mol:	-242.41
Dipole, Da:	11.46
IP(EA), eV:	-9.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]oct-2-enamide

Drug info:

PubChemData

Smile

CCC(C)CCC=CC(=O)NC1CCCNC(=O)C(NC(=O)C(=O)C(NC1=O)C)CC(C)C

DOS

IR

Vibrations