Geometry & MOs

Info

ID:	406798
PubChem CID:	135078666
Reduced:	SO2F3N3H10C12 (1)
Stoich.:	AB2C3D3E10F12 (1)
Weight, g/mol:	345.039497
ΔH_f, kcal/mol:	-170.61
Dipole, Da:	5.02
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-amino-2-cyano-3-oxopropanethioyl)amino]-5-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=S)C(C#N)C(=O)N)C(F)(F)F

DOS

IR

Vibrations