Geometry & MOs

Info

ID:	219875
PubChem CID:	85164995
Reduced:	N2S2O8C29H42 (1)
Stoich.:	A2B2C8D29E42 (1)
Weight, g/mol:	610.373035
ΔH_f, kcal/mol:	-348.93
Dipole, Da:	4.41
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetamido-1-[4-[(4-acetamido-2-acetyloxybutyl)-benzylamino]butyl-benzylamino]butan-2-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C)NC(=O)OC(C)(C)C)SCC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations