Geometry & MOs

Info

ID:	310197
PubChem CID:	126576491
Reduced:	PN3O9C35H46 (1)
Stoich.:	AB3C9D35E46 (1)
Weight, g/mol:	342.208947
ΔH_f, kcal/mol:	-395.91
Dipole, Da:	6.6
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-6-oxohexyl)-6-[(4R,5S)-5-methyl-2-sulfanylideneimidazolidin-4-yl]hexanamide

Drug info:

PubChemData

Smile

COP(=O)(O)OC[C@@H]1C[C@H](CN1C(=O)CCCCCNC(=O)CCCCCNC(=O)OC2CC3=CC=CC=C3C#CC4=CC=CC=C24)O

DOS

IR

Vibrations