Geometry & MOs

Info

ID:	63717
PubChem CID:	26759038
Reduced:	NF2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	377.103
ΔH_f, kcal/mol:	-249.7
Dipole, Da:	5.8
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations