Geometry & MOs

Info

ID:	60966
PubChem CID:	26703701
Reduced:	SN3O4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	401.131031
ΔH_f, kcal/mol:	-42.5
Dipole, Da:	4.96
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)OCC

DOS

IR

Vibrations