Geometry & MOs

Info

ID:	144422
PubChem CID:	53365990
Reduced:	SF2O2N6H12C15 (1)
Stoich.:	AB2C2D6E12F15 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	10.43
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC2=NC=CS2)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations