Geometry & MOs

Info

ID:	80514
PubChem CID:	49834893
Reduced:	SN4O5C27H36 (1)
Stoich.:	AB4C5D27E36 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-163.33
Dipole, Da:	10.21
IP(EA), eV:	-8.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)quinolin-3-yl]but-3-enyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=CC3=C(C(=CC(=C3OC)C(C)(C)C)C4=CC=C(NC4=O)OC)N=C2)CNS(=O)(=O)C

DOS

IR

Vibrations