Geometry & MOs

Info

ID:	243257
PubChem CID:	99217966
Reduced:	SN2O2F3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	451.064746
ΔH_f, kcal/mol:	-207.0
Dipole, Da:	5.26
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(CC(F)(F)F)C(=O)C2=CC=C(C=C2)OC3CCCC3

DOS

IR

Vibrations