Geometry & MOs

Info

ID:

420288

PubChem CID:

135112258

Reduced:

NSCl2O5C16H21 (1)

Stoich.:

ABC2D5E16F21 (1)

Weight, g/mol:

565.247124

ΔHf, kcal/mol:

-234.66

Dipole, Da:

4.24

IP(EA), eV:

 -9.9(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-17-(2-methylsulfanylethyl)-11-(pyridine-3-carbonyl)-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

CCC[C@@]1(CCN(C[C@@H]1O)S(=O)(=O)C2=CC(=C(C=C2C)Cl)Cl)C(=O)O

DOS

IR

Vibrations