Geometry & MOs

Info

ID:

80513

PubChem CID:

49834875

Reduced:

SF2O6C34H34 (1)

Stoich.:

AB2C6D34E34 (1)

Weight, g/mol:

528.240641

ΔHf, kcal/mol:

-291.43

Dipole, Da:

10.98

IP(EA), eV:

 -9.59(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3(C(C1CC[C@]2(C4=C(C=CC(=C4)OC5=CC=CC=C5)C(=O)O)C(=O)SCF)CCC6=CC(=O)C=C[C@@]63C)F)O

DOS

IR

Vibrations