Geometry & MOs

Info

ID:	184779
PubChem CID:	77206799
Reduced:	NO11C31H41 (1)
Stoich.:	AB11C31D41 (1)
Weight, g/mol:	547.205361
ΔH_f, kcal/mol:	-464.42
Dipole, Da:	5.85
IP(EA), eV:	-9.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3,4-bis(propan-2-yloxycarbonyloxy)phenyl]-2-(2-phenoxycarbonyloxyethylamino)propanoate

Drug info:

PubChemData

Smile

CCC(C)(C)OC(=O)OC1=C(C=C(C=C1)C(CC(C)OC(=O)OC2=CC=CC=C2)C(C(=O)O)N)OC(=O)OC(C)(C)CC

DOS

IR

Vibrations