Geometry & MOs

Info

ID:	345878
PubChem CID:	127270178
Reduced:	O2S3N4C15H22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	3.05
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)N2CCSCC2)NC(=O)CSC3=NN=CS3

DOS

IR

Vibrations