Geometry & MOs

Info

ID:	449612
PubChem CID:	135300050
Reduced:	ClOSN7H22C25 (1)
Stoich.:	ABCD7E22F25 (1)
Weight, g/mol:	407.249415
ΔH_f, kcal/mol:	125.54
Dipole, Da:	6.19
IP(EA), eV:	-8.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[8-[(2-ethyl-4-methylphenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-yl]methyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C(=N)N2C(=N)C)CC(=O)N)C3=CC=C(C=C3)Cl)C#CC4=CN=C(C=C4)N

DOS

IR

Vibrations