Geometry & MOs

Info

ID:	73872
PubChem CID:	48420866
Reduced:	ClO2S2N4H11C16 (1)
Stoich.:	AB2C2D4E11F16 (1)
Weight, g/mol:	321.033876
ΔH_f, kcal/mol:	21.48
Dipole, Da:	4.52
IP(EA), eV:	-8.87(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbenzimidazol-1-yl)ethyl 4-chloro-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C(C#N)C(=O)C4=C(N=CS4)Cl

DOS

IR

Vibrations