Geometry & MOs

Info

ID:	234504
PubChem CID:	92298568
Reduced:	BrN2O2S2C6H11 (1)
Stoich.:	AB2C2D2E6F11 (1)
Weight, g/mol:	224.028935
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	4.56
IP(EA), eV:	-9.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-4-hydroxy-4-methyl-1,1-dioxothiolan-3-yl] carbamimidothioate

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C[C@H]1Br)SC(=N)N

DOS

IR

Vibrations