Geometry & MOs

Info

ID:	347699
PubChem CID:	127272579
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	4.76
IP(EA), eV:	-9.01(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)C

DOS

IR

Vibrations