Geometry & MOs

Info

ID:	269977
PubChem CID:	103621613
Reduced:	N2S2F3C10H17 (1)
Stoich.:	A2B2C3D10E17 (1)
Weight, g/mol:	276.05779
ΔH_f, kcal/mol:	-181.0
Dipole, Da:	4.38
IP(EA), eV:	-8.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3-[2-(trifluoromethylsulfanyl)ethyl]thiourea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=S)NCCSC(F)(F)F

DOS

IR

Vibrations