Geometry & MOs

Info

ID:	273026
PubChem CID:	103770346
Reduced:	NSF2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	257.08635
ΔH_f, kcal/mol:	-187.22
Dipole, Da:	6.49
IP(EA), eV:	-9.33(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations