Geometry & MOs

Info

ID:	132444
PubChem CID:	51362465
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	432.033541
ΔH_f, kcal/mol:	-50.68
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)COC1=CC2=NC=CN=C2C=C1

DOS

IR

Vibrations