Geometry & MOs

Info

ID:	120987
PubChem CID:	50752735
Reduced:	ClFO3N5H23C24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	479.109725
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	4.41
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2C1C3=CC=C(C=C3)F)CC(=O)NC4=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations