Geometry & MOs

Info

ID:	89772
PubChem CID:	49964431
Reduced:	O2S2N5C23H27 (1)
Stoich.:	A2B2C5D23E27 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	6.7
IP(EA), eV:	-9.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-(4-methylsulfanylphenyl)-1H-imidazo[1,2-b][1,2,4]triazol-6-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSC2=NN3C(=O)C4=C(CCN(C4)CCC5=CC=CC=C5)N=C3S2

DOS

IR

Vibrations