Geometry & MOs

Info

ID:

190991

PubChem CID:

78091704

Reduced:

NO2C15H22 (2)

Stoich.:

AB2C15D22 (2)

Weight, g/mol:

725.198787

ΔHf, kcal/mol:

-129.02

Dipole, Da:

3.64

IP(EA), eV:

 -9.4(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[14-[[1-(3-chloro-2-fluorophenyl)triazole-4-carbonyl]amino]-10-methyl-9,17-dioxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-2(7),3,5-trien-5-yl]carbamate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCCNC(=O)C=CC(=O)OC

DOS

IR

Vibrations