Geometry & MOs

Info

ID:	128050
PubChem CID:	51028772
Reduced:	N2O2F3C19H23 (1)
Stoich.:	A2B2C3D19E23 (1)
Weight, g/mol:	331.171834
ΔH_f, kcal/mol:	-236.65
Dipole, Da:	2.87
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations