Geometry & MOs

Info

ID:	155279
PubChem CID:	56352863
Reduced:	ON4C27H36 (1)
Stoich.:	AB4C27D36 (1)
Weight, g/mol:	430.113333
ΔH_f, kcal/mol:	10.29
Dipole, Da:	2.51
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-phenyl-2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3C)C)C(C)C

DOS

IR

Vibrations