Geometry & MOs

Info

ID:	58450
PubChem CID:	24701836
Reduced:	ClON2F3H8C9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	244.067034
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	5.33
IP(EA), eV:	-8.97(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-oxopyridin-1-yl)methyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)C(=O)NCC(F)(F)F)Cl

DOS

IR

Vibrations