Geometry & MOs

Info

ID:

449149

PubChem CID:

135296376

Reduced:

N2C19H36 (1)

Stoich.:

A2B19C36 (1)

Weight, g/mol:

844.16523

ΔHf, kcal/mol:

-11.8

Dipole, Da:

3.5

IP(EA), eV:

 -8.6(1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[3-(2,4-dioxopyrimidin-1-yl)quinolin-5-yl]oxypropoxy]propyl]-2-[(9S)-7-(4-iodophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide

Drug info:

PubChemData

Smile

CC(CC(C)(C)CCCC(C)(C)C)N1CCNCC1C#C

DOS

IR

Vibrations