Geometry & MOs

Info

ID:	313510
PubChem CID:	126615193
Reduced:	SF2N2O5C26H32 (1)
Stoich.:	AB2C2D5E26F32 (1)
Weight, g/mol:	217.057278
ΔH_f, kcal/mol:	-261.75
Dipole, Da:	4.61
IP(EA), eV:	-7.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-nitrophenyl)-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CCN([C@H]2C(=O)NC3=CC(=C(C(=C3)F)S(C)(C)C)F)C(=O)CCCC(=O)O)OC

DOS

IR

Vibrations