Geometry & MOs

Info

ID:

181378

PubChem CID:

76736914

Reduced:

N2O19C58H66 (1)

Stoich.:

A2B19C58D66 (1)

Weight, g/mol:

531.099727

ΔHf, kcal/mol:

-655.26

Dipole, Da:

7.65

IP(EA), eV:

 -9.04(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[(2-chloro-7-oxo-4aH-quinolin-3-yl)methyl]-4-fluoro-8-(2-oxo-3H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C34CC3CC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C(C6=CC=CC=C6)NC(=O)OC(C)(C)C)OC(=O)COC(=O)CCNC(=O)OCC7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO5)OC(=O)C)OC(=O)C

DOS

IR

Vibrations