Geometry & MOs

Info

ID:	35417
PubChem CID:	7979829
Reduced:	FNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	371.037207
ΔH_f, kcal/mol:	-177.8
Dipole, Da:	2.87
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-nitrophenoxy)-1-[4-(difluoromethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=CC=CC=C3F

DOS

IR

Vibrations