Geometry & MOs

Info

ID:	296954
PubChem CID:	117602377
Reduced:	FO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	570.041913
ΔH_f, kcal/mol:	2.27
Dipole, Da:	11.33
IP(EA), eV:	-9.25(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-1-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)-2-oxoquinolin-4-yl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)C#N)C2=CN(NC2=O)C3=NC=C(C=C3)C(=O)N4CC[C@@H](C4)N(C)C

DOS

IR

Vibrations