Geometry & MOs

Info

ID:	154976
PubChem CID:	56314535
Reduced:	S2N3O3C25H33 (1)
Stoich.:	A2B3C3D25E33 (1)
Weight, g/mol:	483.110891
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	4.98
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations