Geometry & MOs

Info

ID:	348822
PubChem CID:	127274470
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	23.47
Dipole, Da:	7.78
IP(EA), eV:	-8.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=NN4C(=CC=NC4=N3)C

DOS

IR

Vibrations