Geometry & MOs

Info

ID:

193240

PubChem CID:

78362061

Reduced:

SN2O5C29H36 (1)

Stoich.:

AB2C5D29E36 (1)

Weight, g/mol:

552.265794

ΔHf, kcal/mol:

-149.98

Dipole, Da:

4.58

IP(EA), eV:

 -8.2(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C(C=C1)C2C3=C(C(=O)N2C4=NC=CS4)OC5CC(C(CC5C3=O)C)C)OC

DOS

IR

Vibrations