Geometry & MOs

Info

ID:	271574
PubChem CID:	103684270
Reduced:	NF2O2S2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	323.026155
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	8.17
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-prop-2-ynylsulfanylethyl)-4-(trifluoromethylsulfonyl)aniline

Drug info:

PubChemData

Smile

C#CCSCCNC1=CC=C(C=C1)S(=O)(=O)C(F)F

DOS

IR

Vibrations