Geometry & MOs

Info

ID:	144479
PubChem CID:	53375665
Reduced:	ClON5C19H22 (1)
Stoich.:	ABC5D19E22 (1)
Weight, g/mol:	411.168188
ΔH_f, kcal/mol:	28.86
Dipole, Da:	3.56
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6S,6aS,9aS,9bR)-6a-hydroxy-3'-(4-methoxyphenyl)-6,9a-dimethylspiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2-oxazole]-2,9-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CN(N=N2)CCNC3=C4C=CC(=CC4=NC=C3)Cl)O

DOS

IR

Vibrations