Geometry & MOs

Info

ID:	237583
PubChem CID:	92719832
Reduced:	SN2O5H20C26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	432.077993
ΔH_f, kcal/mol:	-93.17
Dipole, Da:	8.79
IP(EA), eV:	-8.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-(furan-2-yl)-1,6,7,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CC3=C(C=C(C(=O)N3)C4=NC(=CS4)C5=CC6=C(C=C5)OCO6)C(=O)C2

DOS

IR

Vibrations