Geometry & MOs

Info

ID:	150002
PubChem CID:	53789685
Reduced:	N3O5C8H13 (1)
Stoich.:	A3B5C8D13 (1)
Weight, g/mol:	394.235539
ΔH_f, kcal/mol:	-140.96
Dipole, Da:	1.9
IP(EA), eV:	-10.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-7-[(1R,2R)-2-(5-methoxy-4,4-dimethylpent-1-enyl)-5-oxocyclopentyl]hept-2-enoic acid

Drug info:

PubChemData

Smile

C1N=CN=CN1OC2[C@H]([C@@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations