Geometry & MOs

Info

ID:	149346
PubChem CID:	53789018
Reduced:	BrPCl2O2S2C9H18 (1)
Stoich.:	ABC2D2E2F9G18 (1)
Weight, g/mol:	537.198774
ΔH_f, kcal/mol:	-217.07
Dipole, Da:	0.69
IP(EA), eV:	-9.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[3-oxo-2-[[3-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]imidazol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(CSP(=S)(OC(C)CCl)OC(C)CCl)Br

DOS

IR

Vibrations