Geometry & MOs

Info

ID:	245287
PubChem CID:	99443254
Reduced:	SO2F3N3H18C20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	351.111599
ΔH_f, kcal/mol:	-164.19
Dipole, Da:	6.78
IP(EA), eV:	-8.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(N=C(C=C3)C(F)(F)F)C)C

DOS

IR

Vibrations