Geometry & MOs

Info

ID:

225834

PubChem CID:

87226505

Reduced:

FO2N5C21H26 (1)

Stoich.:

AB2C5D21E26 (1)

Weight, g/mol:

964.364961

ΔHf, kcal/mol:

-17.95

Dipole, Da:

5.93

IP(EA), eV:

-8.18(-1.7)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1/C(=C/2\C=C3C=C(C=CC3=N2)F)/C=C(N1)C(=O)NCCN4CCC[C@@H]4COC

DOS

IR

Vibrations