Geometry & MOs

Info

ID:	234502
PubChem CID:	92298563
Reduced:	S2O3N4C23H28 (1)
Stoich.:	A2B3C4D23E28 (1)
Weight, g/mol:	224.028935
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	10.09
IP(EA), eV:	-8.15(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4C[C@H](O[C@@H](C4)C)C)/SC1=S

DOS

IR

Vibrations