Geometry & MOs

Info

ID:	188290
PubChem CID:	77694312
Reduced:	ClN3O4C29H46 (1)
Stoich.:	AB3C4D29E46 (1)
Weight, g/mol:	604.326085
ΔH_f, kcal/mol:	-234.93
Dipole, Da:	4.18
IP(EA), eV:	-8.76(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[1-butyl-3-[1-hydroxy-2-(oxan-4-ylidene)ethyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)CCCOCC3=CC=CC=C3)CC4(CCCCC4)O.Cl

DOS

IR

Vibrations