Geometry & MOs

Info

ID:	121384
PubChem CID:	50765808
Reduced:	ClON4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	514.06742
ΔH_f, kcal/mol:	10.79
Dipole, Da:	5.48
IP(EA), eV:	-8.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[[2-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCCCN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations