Geometry & MOs

Info

ID:	133638
PubChem CID:	51567761
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	289.04809
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	4.25
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-1H-1,2,4-triazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NN=C(N2CC3=CC=CO3)C4CC4

DOS

IR

Vibrations