Geometry & MOs

Info

ID:	397008
PubChem CID:	135029593
Reduced:	NO2S2F3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	92.028243
ΔH_f, kcal/mol:	-207.23
Dipole, Da:	2.85
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

aminocarbamothioylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@H](C)SC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations