Geometry & MOs

Info

ID:	402848
PubChem CID:	135057515
Reduced:	P2S4O6C18H39 (1)
Stoich.:	A2B4C6D18E39 (1)
Weight, g/mol:	218.08728
ΔH_f, kcal/mol:	-392.52
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775855
Charge, e:	-2

Chem-info

IUPAC name:

trifluoro-[(Z)-4-methyl-2-trifluoroboranuidylpent-2-en-3-yl]boranuide

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C(SC)SCCSC(=[S+]C)P(=O)(OC(C)C)OC(C)C)OC(C)C

DOS

IR

Vibrations