Geometry & MOs

Info

ID:	142272
PubChem CID:	53007891
Reduced:	SN2O5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	-140.23
Dipole, Da:	12.11
IP(EA), eV:	-8.65(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(CC(CC3=O)C4=CC=CC=C4)NC2=O

DOS

IR

Vibrations