Geometry & MOs

Info

ID:	28491
PubChem CID:	827971
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	5.97
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C[C@@H]2CC3=CC(=CC(=C3S(=O)(=O)[C@H]2C=C1)C)C

DOS

IR

Vibrations