Geometry & MOs

Info

ID:	314114
PubChem CID:	126620474
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	727.545914
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	5.02
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-[[4-[2-[2-[2-[[(5S)-5-amino-6-(butylamino)-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SN(C2=O)NCCCCCCC(=O)O

DOS

IR

Vibrations