Geometry & MOs

Info

ID:	41699
PubChem CID:	8146851
Reduced:	N3O3H22C24 (1)
Stoich.:	A3B3C22D24 (1)
Weight, g/mol:	402.179087
ΔH_f, kcal/mol:	15.52
Dipole, Da:	10.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.154814
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]oxybenzoate

Drug info:

PubChemData

Smile

C[NH+](CC1=CC2=C(C=C1)C=C(C=C2)OC)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations