Geometry & MOs

Info

ID:	130588
PubChem CID:	51091393
Reduced:	OS2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	347.039834
ΔH_f, kcal/mol:	32.33
Dipole, Da:	5.03
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1,3-thiazol-2-ylsulfanyl)butanoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations