Geometry & MOs

Info

ID:

423728

PubChem CID:

135120092

Reduced:

ON4C22H34 (1)

Stoich.:

AB4C22D34 (1)

Weight, g/mol:

619.268922

ΔHf, kcal/mol:

-34.27

Dipole, Da:

4.76

IP(EA), eV:

 -8.81(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-[2-(benzotriazol-2-yl)acetyl]-21-methyl-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)CCCC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations