Geometry & MOs

Info

ID:	68842
PubChem CID:	46509244
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	423.04444
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	4.69
IP(EA), eV:	-9.15(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations