Geometry & MOs

Info

ID:	318939
PubChem CID:	126653781
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.03
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)indazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=NNC4=C3SC=C4)CC(=O)OC(C)(C)C

DOS

IR

Vibrations