Geometry & MOs

Info

ID:	63885
PubChem CID:	26759407
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	395.093579
ΔH_f, kcal/mol:	-217.46
Dipole, Da:	3.87
IP(EA), eV:	-8.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations