Geometry & MOs

Info

ID:	60403
PubChem CID:	26684425
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	2.47
Dipole, Da:	3.07
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C(=S)N1)[C@H](C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations