Geometry & MOs

Info

ID:

46424

PubChem CID:

10524368

Reduced:

FSO2N4H12C16 (1)

Stoich.:

ABC2D4E12F16 (1)

Weight, g/mol:

389.156241

ΔHf, kcal/mol:

21.3

Dipole, Da:

6.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.809384

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-[1-amino-2-[3-(trifluoromethyl)phenyl]ethylidene]amino] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2)[N+]#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations