Geometry & MOs

Info

ID:	143685
PubChem CID:	53247596
Reduced:	SN2O4C18H32 (1)
Stoich.:	AB2C4D18E32 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-197.98
Dipole, Da:	8.21
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-ditert-butyl-5-hydroxyphenyl)-6-(dimethylamino)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC)[C@H](CC)C(=O)NC1=C(C=CC=C1C)C.CS(=O)(=O)O

DOS

IR

Vibrations