Geometry & MOs

Info

ID:	375660
PubChem CID:	134220719
Reduced:	F2N3O4C28H29 (1)
Stoich.:	A2B3C4D28E29 (1)
Weight, g/mol:	451.9597
ΔH_f, kcal/mol:	-195.6
Dipole, Da:	6.71
IP(EA), eV:	-8.34(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-5-chloro-3-(cyclopropanecarbonyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(NC[C@@H](CO)F)O

DOS

IR

Vibrations