Geometry & MOs

Info

ID:	180503
PubChem CID:	76644597
Reduced:	N2O5C24H32 (1)
Stoich.:	A2B5C24D32 (1)
Weight, g/mol:	653.263121
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	7.18
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(1,3-benzothiazol-2-yl)-3-[tert-butyl(diphenyl)silyl]oxyprop-1-enyl]-5-hydroxy-3-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCC1CN2CCC3(C(=NC4=C3C(=C(C=C4)C)OC)C2CC1C(=COC)C(=O)OC)O

DOS

IR

Vibrations