Geometry & MOs

Info

ID:	237579
PubChem CID:	92719817
Reduced:	SN2O3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	422.049191
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	5.92
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C[C@H](CC4=O)C5=CC=CO5)NC3=O

DOS

IR

Vibrations