Geometry & MOs

Info

ID:

193238

PubChem CID:

78361756

Reduced:

BrSN2O7C32H37 (1)

Stoich.:

ABC2D7E32F37 (1)

Weight, g/mol:

508.203193

ΔHf, kcal/mol:

-224.01

Dipole, Da:

3.32

IP(EA), eV:

 -8.36(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[1-(4-ethylphenyl)-6,7-dimethyl-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C)OC5CCC(CC5C3=O)Br)OCCC(C)C

DOS

IR

Vibrations