Geometry & MOs

Info

ID:	64216
PubChem CID:	29198538
Reduced:	ClO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	432.126755
ΔH_f, kcal/mol:	-50.29
Dipole, Da:	3.4
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCCOC

DOS

IR

Vibrations