Geometry & MOs

Info

ID:	380941
PubChem CID:	134971548
Reduced:	SO5C22H24 (1)
Stoich.:	AB5C22D24 (1)
Weight, g/mol:	289.073677
ΔH_f, kcal/mol:	-176.56
Dipole, Da:	1.87
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-3,3-difluoroazetidine-2-thione

Drug info:

PubChemData

Smile

CCS[C@H]1C[C@H](C(C(O1)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations