Geometry & MOs

Info

ID:	140883
PubChem CID:	52776269
Reduced:	BrON2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	20.15
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124302
Charge, e:	0

Chem-info

IUPAC name:

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2(CC2)C3=CC(=CC=C3)Br)[NH+](C)C

DOS

IR

Vibrations