Geometry & MOs

Info

ID:	361132
PubChem CID:	127302076
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	4.54
IP(EA), eV:	-8.29(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=NN2C)OC)C)CCC(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations