Geometry & MOs

Info

ID:	193168
PubChem CID:	78352940
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	7.32
IP(EA), eV:	-9.13(-1.63)
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-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC=CO5)C(=O)C

DOS

IR

Vibrations