Geometry & MOs

Info

ID:	168338
PubChem CID:	74954045
Reduced:	OSCl2F3N3H12C17 (1)
Stoich.:	ABC2D3E3F12G17 (1)
Weight, g/mol:	448.98018
ΔH_f, kcal/mol:	-135.75
Dipole, Da:	7.11
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6,8-dichloro-2,3-dihydrothiochromen-4-ylidene)amino]-3-[4-(trifluoromethyl)phenyl]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations