Geometry & MOs

Info

ID:	302748
PubChem CID:	124394433
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	412.047755
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	9.03
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-5,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations