Geometry & MOs

Info

ID:	37866
PubChem CID:	8025192
Reduced:	SO2N4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	388.182064
ΔH_f, kcal/mol:	50.75
Dipole, Da:	12.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758169
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2=NC3=C(S2)C[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations