Geometry & MOs

Info

ID:	155654
PubChem CID:	56366658
Reduced:	Cl2O2N5H17C20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	422.096123
ΔH_f, kcal/mol:	19.96
Dipole, Da:	5.87
IP(EA), eV:	-9.04(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations