Geometry & MOs

Info

ID:	345854
PubChem CID:	127270154
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	4.18
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN=C1C)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations