Geometry & MOs

Info

ID:	63879
PubChem CID:	26759401
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-204.0
Dipole, Da:	3.85
IP(EA), eV:	-8.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations