Geometry & MOs

Info

ID:	29453
PubChem CID:	833892
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	324.073262
ΔH_f, kcal/mol:	55.36
Dipole, Da:	4.86
IP(EA), eV:	-8.27(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)carbamothioyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C(=NC3=CC=C(C=C3)N(C)C)C(=N2)C)C

DOS

IR

Vibrations