Geometry & MOs

Info

ID:	61442
PubChem CID:	26709431
Reduced:	BrSN3O3H16C21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	4.65
IP(EA), eV:	-8.45(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations