Geometry & MOs

Info

ID:	361640
PubChem CID:	127303972
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	399.128649
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	4.18
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1,1-dioxothiolan-3-yl)-1-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NCCC3=CSC=N3

DOS

IR

Vibrations