Geometry & MOs

Info

ID:	29544
PubChem CID:	835013
Reduced:	ClN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	304.068177
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	2.62
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(2-methoxyphenyl)carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)OCC(=O)N

DOS

IR

Vibrations