Geometry & MOs

Info

ID:	235213
PubChem CID:	92304228
Reduced:	PSN2F3O3C13H18 (1)
Stoich.:	ABC2D3E3F13G18 (1)
Weight, g/mol:	370.072785
ΔH_f, kcal/mol:	-326.44
Dipole, Da:	7.48
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-diethoxyphosphoryl-2,2,2-trifluoroethyl]-3-phenylthiourea

Drug info:

PubChemData

Smile

CCOP(=O)([C@@H](C(F)(F)F)NC(=S)NC1=CC=CC=C1)OCC

DOS

IR

Vibrations