Geometry & MOs

Info

ID:	193169
PubChem CID:	78352941
Reduced:	SN2O5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-142.7
Dipole, Da:	6.94
IP(EA), eV:	-8.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC(=C(S4)C(=O)C)C)OC5CCCCC5C3=O

DOS

IR

Vibrations