Geometry & MOs

Info

ID:	156535
PubChem CID:	56371036
Reduced:	SO2F3N5C18H22 (1)
Stoich.:	AB2C3D5E18F22 (1)
Weight, g/mol:	401.134403
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	6.29
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations