Geometry & MOs

Info

ID:	29438
PubChem CID:	833813
Reduced:	NOSC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	316.104563
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	4.79
IP(EA), eV:	-8.51(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CS2

DOS

IR

Vibrations