Geometry & MOs

Info

ID:	29217
PubChem CID:	832382
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	4.06
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-cyclohexyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations