Geometry & MOs

Info

ID:	354788
PubChem CID:	127287548
Reduced:	O2S2N5C14H21 (1)
Stoich.:	A2B2C5D14E21 (1)
Weight, g/mol:	390.065235
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	7.25
IP(EA), eV:	-8.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NN=C(S1)SCC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations