Geometry & MOs

Info

ID:	155175
PubChem CID:	56320918
Reduced:	SO2F3N3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	434.091198
ΔH_f, kcal/mol:	-161.92
Dipole, Da:	6.84
IP(EA), eV:	-9.29(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations