Geometry & MOs

Info

ID:	312413
PubChem CID:	126604733
Reduced:	F3O5N8H19C20 (1)
Stoich.:	A3B5C8D19E20 (1)
Weight, g/mol:	372.071468
ΔH_f, kcal/mol:	-222.14
Dipole, Da:	9.65
IP(EA), eV:	-9.88(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethyl)-8-(2-methylpyridin-3-yl)oxy-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CN(C3=CC=C(C=C3)C(=O)NO)C(=O)C(F)(F)F)NC

DOS

IR

Vibrations