Geometry & MOs

Info

ID:	158735
PubChem CID:	56468200
Reduced:	FSO3N6C17H17 (1)
Stoich.:	ABC3D6E17F17 (1)
Weight, g/mol:	462.088593
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	14.44
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CN(C)S(=O)(=O)C3=CC=CC=C3)F

DOS

IR

Vibrations