Geometry & MOs

Info

ID:	155669
PubChem CID:	56366785
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	422.096123
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	4.47
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(=O)NC2=CN=CC=C2)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations