Geometry & MOs

Info

ID:	120712
PubChem CID:	50741405
Reduced:	ClSO3N4H13C19 (1)
Stoich.:	ABC3D4E13F19 (1)
Weight, g/mol:	440.209993
ΔH_f, kcal/mol:	-22.81
Dipole, Da:	8.88
IP(EA), eV:	-8.84(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(benzylamino)-3-(2,5-dimethylphenyl)propanoyl]-2-hydroxy-1-methylquinolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\3/C(=O)N=C(S3)N)/C(=O)N2CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations