Geometry & MOs

Info

ID:	63903
PubChem CID:	26759450
Reduced:	ClNO6C21H24 (1)
Stoich.:	ABC6D21E24 (1)
Weight, g/mol:	391.118651
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	4.31
IP(EA), eV:	-8.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H](C)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations