Geometry & MOs

Info

ID:	29551
PubChem CID:	835095
Reduced:	NOH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	341.979668
ΔH_f, kcal/mol:	40.92
Dipole, Da:	2.74
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dichlorophenyl)carbamothioyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations