Geometry & MOs

Info

ID:	49501
PubChem CID:	11533127
Reduced:	BrClF2O3H16C22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	481.111709
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	4.11
IP(EA), eV:	-9.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylphenyl]triazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC2=C(C(=CC(=C2)Cl)Br)OCC3=CC(=CC(=C3)F)F)C(=O)O

DOS

IR

Vibrations