Geometry & MOs

Info

ID:	273012
PubChem CID:	103770318
Reduced:	ClNF2O3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	306.048584
ΔH_f, kcal/mol:	-215.3
Dipole, Da:	5.86
IP(EA), eV:	-9.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-2-(4-nitrophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)NCC(C(F)F)O)Cl

DOS

IR

Vibrations