Geometry & MOs

Info

ID:	223461
PubChem CID:	85335075
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	371.989089
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	4.37
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-3H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CCC4=O)C)C

DOS

IR

Vibrations