Geometry & MOs

Info

ID:	60395
PubChem CID:	26684031
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	2.73
Dipole, Da:	4.19
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-methyl-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations