Geometry & MOs

Info

ID:	85650
PubChem CID:	49877876
Reduced:	ClNSO3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	516.00046
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	2.35
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)(=O)OC2=CC=CC3=C2N=CC=C3)Cl

DOS

IR

Vibrations