Geometry & MOs

Info

ID:	348820
PubChem CID:	127274468
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-20.49
Dipole, Da:	6.75
IP(EA), eV:	-8.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=CC4=C(N=C3)ON=C4C

DOS

IR

Vibrations