Geometry & MOs

Info

ID:	31785
PubChem CID:	3718171
Reduced:	OSF3N6C19H21 (1)
Stoich.:	ABC3D6E19F21 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	3.38
IP(EA), eV:	-8.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-4-[(1,3-dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-6-ethoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N=C1C(F)(F)F)C2=NC3=CC=CC=C3S2)NCCN4CCNCC4

DOS

IR

Vibrations