Geometry & MOs

Info

ID:	61218
PubChem CID:	26707181
Reduced:	BrFN3O4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	434.111185
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	3.56
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations