Geometry & MOs

Info

ID:	63702
PubChem CID:	26759009
Reduced:	BrNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-156.51
Dipole, Da:	9.94
IP(EA), eV:	-9.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations