Geometry & MOs

Info

ID:	235212
PubChem CID:	92304227
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	370.072785
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	6.04
IP(EA), eV:	-8.09(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@H](CC(=O)NCCN3CCCC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations