Geometry & MOs

Info

ID:	348807
PubChem CID:	127274455
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-114.8
Dipole, Da:	3.36
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations