Geometry & MOs

Info

ID:	348806
PubChem CID:	127274454
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-170.09
Dipole, Da:	7.69
IP(EA), eV:	-8.46(-0.34)
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-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C(C)OCC3CCCO3

DOS

IR

Vibrations