Geometry & MOs

Info

ID:	35415
PubChem CID:	7979827
Reduced:	BrN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	371.037207
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	2.96
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CN=C2)Br)OC

DOS

IR

Vibrations