Geometry & MOs

Info

ID:	168339
PubChem CID:	74954046
Reduced:	Cl2S2F3N3H12C17 (1)
Stoich.:	A2B2C3D3E12F17 (1)
Weight, g/mol:	383.071546
ΔH_f, kcal/mol:	-78.6
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CSC2=C(C1=NNC(=S)NC3=CC=C(C=C3)C(F)(F)F)C=C(C=C2Cl)Cl

DOS

IR

Vibrations