Geometry & MOs

Info

ID:	284993
PubChem CID:	104088413
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	221.041926
ΔH_f, kcal/mol:	25.77
Dipole, Da:	1.42
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

trifluoro-[[4-(hydroxymethyl)phenyl]sulfanylmethyl]boranuide

Drug info:

PubChemData

Smile

CC(CO)SC1=NC(=NC(=C1)NN)C2=CC=CC=C2

DOS

IR

Vibrations