Geometry & MOs

Info

ID:	214555
PubChem CID:	85083185
Reduced:	N2O3C15H18 (2)
Stoich.:	A2B3C15D18 (2)
Weight, g/mol:	548.244389
ΔH_f, kcal/mol:	-220.39
Dipole, Da:	4.48
IP(EA), eV:	-8.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-[2-(4-methylphenyl)sulfonyloxy-4-phenylmethoxybutyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC(CC2=CN(C3=CC=CC=C32)C=O)C(=O)N(C)CC4=CC=CC=C4)O

DOS

IR

Vibrations