Geometry & MOs

Info

ID:

415936

PubChem CID:

135088938

Reduced:

SN2O4C17H26 (1)

Stoich.:

AB2C4D17E26 (1)

Weight, g/mol:

685.304639

ΔHf, kcal/mol:

-174.31

Dipole, Da:

6.64

IP(EA), eV:

 -9.62(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-11-[2-[3-(cyclopropanecarbonyl)indol-1-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=CC(=C(C(=C1)C)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations