Geometry & MOs

Info

ID:	234343
PubChem CID:	92298221
Reduced:	IN2O5H17C25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	473.104542
ΔH_f, kcal/mol:	11.52
Dipole, Da:	5.32
IP(EA), eV:	-9.16(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N([C@H]2C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)I)O

DOS

IR

Vibrations