Geometry & MOs

Info

ID:

421716

PubChem CID:

135116491

Reduced:

N2O3C19H28 (1)

Stoich.:

A2B3C19D28 (1)

Weight, g/mol:

614.234511

ΔHf, kcal/mol:

-120.06

Dipole, Da:

3.2

IP(EA), eV:

 -8.87(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-11-(2-methylphenyl)sulfonyl-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(=CC=C1)OCC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations