Geometry & MOs

Info

ID:	155287
PubChem CID:	56352873
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	430.113333
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	2.41
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=CC=C1)NC(=O)C2=NN(C(C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations