Geometry & MOs

Info

ID:	63904
PubChem CID:	26759452
Reduced:	ClNO5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	391.118651
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	8.75
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations