Geometry & MOs

Info

ID:	46214
PubChem CID:	10523255
Reduced:	FNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	371.051067
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	3.87
IP(EA), eV:	-9.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6Z)-5-oxo-6-[(2E)-2-(2-oxonaphthalen-1-ylidene)ethylidene]-3-sulfanylidene-1,2,4-triazinan-4-yl]thiourea

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)C

DOS

IR

Vibrations