Geometry & MOs

Info

ID:	273031
PubChem CID:	103770354
Reduced:	NSO2F3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	5.9
IP(EA), eV:	-9.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations