Geometry & MOs

Info

ID:	273080
PubChem CID:	103770454
Reduced:	NSF2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	307.042292
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	6.38
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations