Geometry & MOs

Info

ID:	221632
PubChem CID:	85285790
Reduced:	SO6H32C34 (1)
Stoich.:	AB6C32D34 (1)
Weight, g/mol:	568.281838
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	3.92
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-[[4-[[3-(2,3-dihydroxybutylsulfanyl)propanoylamino]methyl]benzoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2C(SC(C2OCC3=CC=CC=C3)CC(=O)OC4=CC=CC=C4)CC(=O)OC5=CC=CC=C5

DOS

IR

Vibrations