Geometry & MOs

Info

ID:	440774
PubChem CID:	135231412
Reduced:	NSC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	419.091532
ΔH_f, kcal/mol:	28.08
Dipole, Da:	0.41
IP(EA), eV:	-8.25(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-4-ylmethyl)-3-[4-[2-(trifluoromethoxy)phenyl]sulfanylphenyl]urea

Drug info:

PubChemData

Smile

CS/C=C\C(=C)CN

DOS

IR

Vibrations