Geometry & MOs

Info

ID:

441596

PubChem CID:

135236610

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

654.117368

ΔHf, kcal/mol:

-175.31

Dipole, Da:

4.31

IP(EA), eV:

 -9.13(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-[(2R)-2,3-dihydroxypropoxy]quinolin-6-yl]-2-(dithiolan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(CCCNC(=O)C(=CC(C)(C)C)C#N)NC(=O)C(COC)NC(=O)C2=NOC(=C2)C

DOS

IR

Vibrations