Geometry & MOs

Info

ID:	63901
PubChem CID:	26759447
Reduced:	ClNO6C20H22 (1)
Stoich.:	ABC6D20E22 (1)
Weight, g/mol:	435.06814
ΔH_f, kcal/mol:	-213.02
Dipole, Da:	7.32
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations