Geometry & MOs

Info

ID:	435685
PubChem CID:	135192155
Reduced:	FN2O7C36H45 (1)
Stoich.:	AB2C7D36E45 (1)
Weight, g/mol:	412.123247
ΔH_f, kcal/mol:	-332.94
Dipole, Da:	3.12
IP(EA), eV:	-8.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-6-[(2,3,5,6-tetrafluoro-4-methylphenyl)methylsulfanylamino]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OCC(C)OC(=O)CCOC(C)(C)O)C2=C(C3=C(C=C2)NC(C(=O)N3C)(C)C)COC4=C(C=CC(=C4)F)C

DOS

IR

Vibrations