Geometry & MOs

Info

ID:	374934
PubChem CID:	131407246
Reduced:	ClNSF3H7C10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	325.16608
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	2.14
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2)[C@H](C(F)(F)F)N

DOS

IR

Vibrations