Geometry & MOs

Info

ID:	63890
PubChem CID:	26759427
Reduced:	BrFNO5C19H19 (1)
Stoich.:	ABCD5E19F19 (1)
Weight, g/mol:	379.123129
ΔH_f, kcal/mol:	-207.73
Dipole, Da:	7.54
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations