Geometry & MOs

Info

ID:	405117
PubChem CID:	135072641
Reduced:	NO5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	246.051464
ΔH_f, kcal/mol:	-216.28
Dipole, Da:	1.45
IP(EA), eV:	-9.13(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl 2-(4-fluorophenyl)ethanethioate

Drug info:

PubChemData

Smile

CC1(N([C@@H](CO1)C(C(=C=C)OC)O)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations