Geometry & MOs

Info

ID:	26871
PubChem CID:	800925
Reduced:	OSN2F3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	340.043712
ΔH_f, kcal/mol:	-191.1
Dipole, Da:	3.61
IP(EA), eV:	-9.1(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)carbamothioyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(F)(F)F

DOS

IR

Vibrations