Geometry & MOs

Info

ID:	327454
PubChem CID:	126689955
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	4.37
IP(EA), eV:	-9.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,5R,6aS)-4-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=C(N=N1)CNC(=O)OC(C)(C)C)C

DOS

IR

Vibrations