Geometry & MOs

Info

ID:	237584
PubChem CID:	92719834
Reduced:	SN2O5H16C23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	442.135114
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	7.6
IP(EA), eV:	-8.32(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione

Drug info:

PubChemData

Smile

C1[C@@H](CC(=O)C2=C1NC(=O)C(=C2)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5)C6=CC=CO6

DOS

IR

Vibrations