Geometry & MOs

Info

ID:	63902
PubChem CID:	26759449
Reduced:	BrNO5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	421.129215
ΔH_f, kcal/mol:	-177.63
Dipole, Da:	2.75
IP(EA), eV:	-8.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC)Br

DOS

IR

Vibrations