Geometry & MOs

Info

ID:

403827

PubChem CID:

135062065

Reduced:

ClFNO2C8H9 (1)

Stoich.:

ABCD2E8F9 (1)

Weight, g/mol:

767.282269

ΔHf, kcal/mol:

-101.54

Dipole, Da:

4.26

IP(EA), eV:

-11.02(-0.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-6-fluoro-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1(C[C@]1(CCl)F)C#N

DOS

IR

Vibrations