Geometry & MOs

Info

ID:	57635
PubChem CID:	22428871
Reduced:	OSCl2N3H21C22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	459.093889
ΔH_f, kcal/mol:	21.8
Dipole, Da:	4.29
IP(EA), eV:	-9.12(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3(CCCC3)N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations