Geometry & MOs

Info

ID:	392044
PubChem CID:	135012156
Reduced:	SN2O2F6C15H16 (1)
Stoich.:	AB2C2D6E15F16 (1)
Weight, g/mol:	574.151354
ΔH_f, kcal/mol:	-387.13
Dipole, Da:	6.21
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]thiourea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations