Geometry & MOs

Info

ID:	407059
PubChem CID:	135079223
Reduced:	FSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	295.042691
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	1.93
IP(EA), eV:	-9.08(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations