Geometry & MOs

Info

ID:	150493
PubChem CID:	53790185
Reduced:	O2C9H17 (2)
Stoich.:	A2B9C17 (2)
Weight, g/mol:	262.057612
ΔH_f, kcal/mol:	-242.87
Dipole, Da:	3.34
IP(EA), eV:	-10.37(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-cyclopropyl-N-(2-fluorophenyl)-3-oxopropanethioamide

Drug info:

PubChemData

Smile

CCC(C)(CCCC(C)(C)CC(C)(C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations