Geometry & MOs

Info

ID:	184754
PubChem CID:	77204080
Reduced:	NO10C30H47 (1)
Stoich.:	AB10C30D47 (1)
Weight, g/mol:	395.158017
ΔH_f, kcal/mol:	-465.18
Dipole, Da:	3.07
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-diacetyloxyphenyl)-2-(2-propanoyloxyethylamino)propanoate

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OCC(C)C(C1=CC(=C(C=C1)OC(=O)OCCC(C)C)OC(=O)OCCC(C)C)C(C(=O)O)N

DOS

IR

Vibrations