Geometry & MOs

Info

ID:	57634
PubChem CID:	22428686
Reduced:	FOSN3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	445.078239
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	5.08
IP(EA), eV:	-9.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations