Geometry & MOs

Info

ID:	150616
PubChem CID:	53790309
Reduced:	S3O6N9H17C19 (1)
Stoich.:	A3B6C9D17E19 (1)
Weight, g/mol:	367.272259
ΔH_f, kcal/mol:	24.34
Dipole, Da:	5.97
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S,3S,4S)-3-[2-(2-hydroxyhexylamino)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)NC=O)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC#C)C(=O)O

DOS

IR

Vibrations