Geometry & MOs

Info

ID:	63731
PubChem CID:	26759059
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-199.92
Dipole, Da:	7.47
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1OC)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations